#------------------------------------------------------------------------------
#$Date: 2021-09-06 15:00:21 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268854 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/07/7060715.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7060715
loop_
_publ_author_name
'Mutlu, Ömer Faruk'
'Binici, Arzu'
'Okumuş, Aytuğ'
'Elmas, Gamze'
'Çoşut, Bünyemin'
'Kılıç, Zeynel'
'Hökelek, Tuncer'
_publ_section_title
;
 Phosphorus--nitrogen compounds. Part 54. syntheses of chiral
 amino-4-fluorobenzyl-spiro(N/O)cyclotriphosphazenes: structural and
 stereogenic properties
;
_journal_issue                   27
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              12178
_journal_page_last               12192
_journal_paper_doi               10.1039/D1NJ00934F
_journal_volume                  45
_journal_year                    2021
_chemical_formula_sum            'C16 H28 Cl2 F N6 O P3'
_chemical_formula_weight         503.25
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-05-17 deposited with the CCDC.	2021-06-08 downloaded from the CCDC.
;
_cell_angle_alpha                103.929(3)
_cell_angle_beta                 110.726(3)
_cell_angle_gamma                100.441(2)
_cell_formula_units_Z            2
_cell_length_a                   10.1879(3)
_cell_length_b                   10.2669(3)
_cell_length_c                   13.3549(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1212.24(8)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0303
_diffrn_reflns_av_unetI/netI     0.0278
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            15025
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.025
_diffrn_reflns_theta_max         25.025
_diffrn_reflns_theta_min         1.728
_exptl_absorpt_coefficient_mu    0.493
_exptl_crystal_density_diffrn    1.379
_exptl_crystal_F_000             524
_exptl_crystal_size_max          0.310
_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.730
_refine_diff_density_min         -0.592
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     270
_refine_ls_number_reflns         4288
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0652
_refine_ls_R_factor_gt           0.0539
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0660P)²+1.1742P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1412
_refine_ls_wR_factor_ref         0.1508
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3509
_reflns_number_total             4288
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1nj00934f2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7060715.cif.'
_cod_original_cell_volume        1212.24(7)
_cod_database_code               7060715
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.862
_shelx_estimated_absorpt_t_max   0.908
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
H5A H -0.157(5) 0.410(5) 0.418(4) 0.075(13) Uiso 1 1 d . . . . .
H6A H -0.006(7) 0.222(7) 0.479(5) 0.15(2) Uiso 1 1 d . . . . .
P1 P -0.02605(9) 0.27279(9) 0.13409(7) 0.0504(2) Uani 1 1 d . . . . .
P2 P 0.15111(9) 0.50535(8) 0.32117(7) 0.0513(2) Uani 1 1 d . . . . .
P3 P -0.03800(9) 0.29754(9) 0.34479(7) 0.0522(2) Uani 1 1 d . . . . .
Cl1 Cl 0.1296(2) 0.69921(12) 0.34370(11) 0.1176(6) Uani 1 1 d . . . . .
Cl2 Cl 0.37105(12) 0.55481(17) 0.39047(11) 0.1097(5) Uani 1 1 d . . . . .
O1 O 0.0443(3) 0.1649(2) 0.08423(19) 0.0570(6) Uani 1 1 d . . . . .
N1 N 0.0919(3) 0.4265(3) 0.1917(2) 0.0589(7) Uani 1 1 d . . . . .
N2 N 0.0953(3) 0.4427(3) 0.3988(2) 0.0582(7) Uani 1 1 d . . . . .
N3 N -0.0829(3) 0.2158(3) 0.2152(2) 0.0610(7) Uani 1 1 d . . . . .
N4 N -0.1640(3) 0.2692(3) 0.0205(2) 0.0566(7) Uani 1 1 d . . . . .
N5 N -0.1757(3) 0.3402(4) 0.3623(3) 0.0719(9) Uani 1 1 d . . . . .
N6 N 0.0016(4) 0.1907(4) 0.4161(3) 0.0731(9) Uani 1 1 d . . . . .
F1 F -0.8395(3) 0.1757(4) -0.2580(4) 0.1583(16) Uani 1 1 d . . . . .
C1 C -0.6127(6) 0.3461(6) -0.1784(4) 0.0996(15) Uani 1 1 d . . . . .
H1 H -0.653964 0.399189 -0.221310 0.120 Uiso 1 1 calc R U . . .
C2 C -0.4661(5) 0.3915(5) -0.1052(4) 0.0834(12) Uani 1 1 d . . . . .
H2 H -0.407224 0.476164 -0.099202 0.100 Uiso 1 1 calc R U . . .
C3 C -0.4053(4) 0.3138(4) -0.0411(3) 0.0637(9) Uani 1 1 d . . . . .
C4 C -0.4939(5) 0.1885(4) -0.0526(4) 0.0787(11) Uani 1 1 d . . . . .
H4 H -0.454102 0.134696 -0.009806 0.094 Uiso 1 1 calc R U . . .
C5 C -0.6403(5) 0.1404(5) -0.1259(5) 0.0949(15) Uani 1 1 d . . . . .
H5 H -0.699618 0.054884 -0.133879 0.114 Uiso 1 1 calc R U . . .
C6 C -0.6947(5) 0.2219(6) -0.1859(5) 0.0980(17) Uani 1 1 d . . . . .
C7 C -0.2474(4) 0.3667(4) 0.0428(3) 0.0722(10) Uani 1 1 d . . . . .
H7A H -0.202430 0.456732 0.040019 0.087 Uiso 1 1 calc R U . . .
H7B H -0.242689 0.380979 0.118668 0.087 Uiso 1 1 calc R U . . .
C8 C -0.1394(4) 0.2657(4) -0.0830(3) 0.0655(9) Uani 1 1 d . . . . .
H8A H -0.077910 0.356820 -0.071477 0.079 Uiso 1 1 calc R U . . .
H8B H -0.232733 0.246327 -0.146379 0.079 Uiso 1 1 calc R U . . .
C9 C -0.0665(4) 0.1547(4) -0.1107(3) 0.0657(9) Uani 1 1 d . . . . .
H9A H -0.132671 0.062676 -0.130134 0.079 Uiso 1 1 calc R U . . .
H9B H -0.046989 0.158219 -0.176164 0.079 Uiso 1 1 calc R U . . .
C10 C 0.0741(4) 0.1750(4) -0.0132(3) 0.0642(9) Uani 1 1 d . . . . .
H10A H 0.119530 0.103858 -0.034020 0.077 Uiso 1 1 calc R U . . .
H10B H 0.141358 0.266360 0.006167 0.077 Uiso 1 1 calc R U . . .
C11 C -0.3172(5) 0.2404(6) 0.3224(5) 0.0981(15) Uani 1 1 d . . . . .
H11A H -0.324906 0.158236 0.264100 0.118 Uiso 1 1 calc R U . . .
H11B H -0.323319 0.210962 0.384790 0.118 Uiso 1 1 calc R U . . .
C12 C -0.4388(6) 0.2914(8) 0.2774(5) 0.131(2) Uani 1 1 d . . . . .
H12A H -0.432963 0.321486 0.215194 0.157 Uiso 1 1 calc R U . . .
H12B H -0.432497 0.372762 0.335758 0.157 Uiso 1 1 calc R U . . .
C13 C -0.5850(6) 0.1840(10) 0.2354(7) 0.180(4) Uani 1 1 d . . . . .
H13A H -0.662397 0.224136 0.206184 0.270 Uiso 1 1 calc R U . . .
H13B H -0.593171 0.103934 0.176262 0.270 Uiso 1 1 calc R U . . .
H13C H -0.592706 0.155235 0.296884 0.270 Uiso 1 1 calc R U . . .
C14 C 0.1069(7) 0.1153(6) 0.4149(5) 0.1070(16) Uani 1 1 d . . . . .
H14A H 0.072011 0.025892 0.423241 0.128 Uiso 1 1 calc R U . . .
H14B H 0.108719 0.095368 0.340669 0.128 Uiso 1 1 calc R U . . .
C15 C 0.2469(8) 0.1778(9) 0.4942(8) 0.169(3) Uani 1 1 d . . . . .
H15A H 0.243991 0.216090 0.566965 0.203 Uiso 1 1 calc R U . . .
H15B H 0.289649 0.256048 0.475693 0.203 Uiso 1 1 calc R U . . .
C16 C 0.3496(7) 0.0836(7) 0.5074(8) 0.166(3) Uani 1 1 d . . . . .
H16A H 0.445381 0.137869 0.565340 0.249 Uiso 1 1 calc R U . . .
H16B H 0.310841 0.007200 0.528330 0.249 Uiso 1 1 calc R U . . .
H16C H 0.356632 0.047275 0.436793 0.249 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 P1 N3 107.59(15) . . ?
O1 P1 N1 108.84(14) . . ?
N3 P1 N1 115.64(14) . . ?
O1 P1 N4 103.22(13) . . ?
N3 P1 N4 111.15(16) . . ?
N1 P1 N4 109.62(15) . . ?
N2 P2 N1 121.83(15) . . ?
N2 P2 Cl1 108.19(12) . . ?
N1 P2 Cl1 108.65(12) . . ?
N2 P2 Cl2 107.66(12) . . ?
N1 P2 Cl2 109.02(12) . . ?
Cl1 P2 Cl2 99.11(8) . . ?
N3 P3 N5 110.54(17) . . ?
N3 P3 N2 114.69(14) . . ?
N5 P3 N2 106.03(17) . . ?
N3 P3 N6 108.14(18) . . ?
N5 P3 N6 106.1(2) . . ?
N2 P3 N6 111.01(17) . . ?
C10 O1 P1 118.4(2) . . ?
P2 N1 P1 120.62(17) . . ?
P2 N2 P3 120.52(17) . . ?
P1 N3 P3 125.84(17) . . ?
C7 N4 C8 112.1(3) . . ?
C7 N4 P1 114.7(2) . . ?
C8 N4 P1 118.3(2) . . ?
C11 N5 P3 123.1(3) . . ?
C11 N5 H5A 114(3) . . ?
P3 N5 H5A 118(3) . . ?
C14 N6 P3 125.2(4) . . ?
C14 N6 H6A 118(4) . . ?
P3 N6 H6A 108(4) . . ?
C6 C1 C2 117.9(5) . . ?
C6 C1 H1 121.1 . . ?
C2 C1 H1 121.1 . . ?
C3 C2 C1 121.1(4) . . ?
C3 C2 H2 119.4 . . ?
C1 C2 H2 119.4 . . ?
C4 C3 C2 118.3(4) . . ?
C4 C3 C7 120.5(4) . . ?
C2 C3 C7 121.1(4) . . ?
C3 C4 C5 121.6(5) . . ?
C3 C4 H4 119.2 . . ?
C5 C4 H4 119.2 . . ?
C6 C5 C4 117.6(5) . . ?
C6 C5 H5 121.2 . . ?
C4 C5 H5 121.2 . . ?
C1 C6 C5 123.5(5) . . ?
C1 C6 F1 118.5(6) . . ?
C5 C6 F1 118.0(6) . . ?
N4 C7 C3 112.3(3) . . ?
N4 C7 H7A 109.1 . . ?
C3 C7 H7A 109.1 . . ?
N4 C7 H7B 109.1 . . ?
C3 C7 H7B 109.1 . . ?
H7A C7 H7B 107.9 . . ?
N4 C8 C9 111.1(3) . . ?
N4 C8 H8A 109.4 . . ?
C9 C8 H8A 109.4 . . ?
N4 C8 H8B 109.4 . . ?
C9 C8 H8B 109.4 . . ?
H8A C8 H8B 108.0 . . ?
C10 C9 C8 111.6(3) . . ?
C10 C9 H9A 109.3 . . ?
C8 C9 H9A 109.3 . . ?
C10 C9 H9B 109.3 . . ?
C8 C9 H9B 109.3 . . ?
H9A C9 H9B 108.0 . . ?
O1 C10 C9 109.4(3) . . ?
O1 C10 H10A 109.8 . . ?
C9 C10 H10A 109.8 . . ?
O1 C10 H10B 109.8 . . ?
C9 C10 H10B 109.8 . . ?
H10A C10 H10B 108.2 . . ?
C12 C11 N5 114.7(5) . . ?
C12 C11 H11A 108.6 . . ?
N5 C11 H11A 108.6 . . ?
C12 C11 H11B 108.6 . . ?
N5 C11 H11B 108.6 . . ?
H11A C11 H11B 107.6 . . ?
C11 C12 C13 113.3(7) . . ?
C11 C12 H12A 108.9 . . ?
C13 C12 H12A 108.9 . . ?
C11 C12 H12B 108.9 . . ?
C13 C12 H12B 108.9 . . ?
H12A C12 H12B 107.7 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 N6 117.5(5) . . ?
C15 C14 H14A 107.9 . . ?
N6 C14 H14A 107.9 . . ?
C15 C14 H14B 107.9 . . ?
N6 C14 H14B 107.9 . . ?
H14A C14 H14B 107.2 . . ?
C14 C15 C16 116.3(6) . . ?
C14 C15 H15A 108.2 . . ?
C16 C15 H15A 108.2 . . ?
C14 C15 H15B 108.2 . . ?
C16 C15 H15B 108.2 . . ?
H15A C15 H15B 107.4 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
P1 O1 1.567(2) . ?
P1 N3 1.574(3) . ?
P1 N1 1.613(3) . ?
P1 N4 1.650(3) . ?
P2 N2 1.555(3) . ?
P2 N1 1.555(3) . ?
P2 Cl1 2.0041(14) . ?
P2 Cl2 2.0072(14) . ?
P3 N3 1.584(3) . ?
P3 N5 1.618(3) . ?
P3 N2 1.625(3) . ?
P3 N6 1.633(4) . ?
O1 C10 1.459(4) . ?
N4 C7 1.468(4) . ?
N4 C8 1.483(4) . ?
N5 C11 1.439(5) . ?
N5 H5A 0.83(4) . ?
N6 C14 1.435(6) . ?
N6 H6A 0.86(6) . ?
F1 C6 1.360(5) . ?
C1 C6 1.351(8) . ?
C1 C2 1.378(6) . ?
C1 H1 0.9300 . ?
C2 C3 1.373(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.371(6) . ?
C3 C7 1.502(5) . ?
C4 C5 1.376(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.352(8) . ?
C5 H5 0.9300 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.512(5) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.494(5) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.425(8) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.505(8) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 C15 1.356(8) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.542(9) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N3 P1 O1 C10 165.7(2) . . . . ?
N1 P1 O1 C10 -68.3(3) . . . . ?
N4 P1 O1 C10 48.1(3) . . . . ?
N2 P2 N1 P1 -2.4(3) . . . . ?
Cl1 P2 N1 P1 -129.06(19) . . . . ?
Cl2 P2 N1 P1 123.90(19) . . . . ?
O1 P1 N1 P2 -117.1(2) . . . . ?
N3 P1 N1 P2 4.1(3) . . . . ?
N4 P1 N1 P2 130.7(2) . . . . ?
N1 P2 N2 P3 -5.3(3) . . . . ?
Cl1 P2 N2 P3 121.61(19) . . . . ?
Cl2 P2 N2 P3 -132.16(18) . . . . ?
N3 P3 N2 P2 10.4(3) . . . . ?
N5 P3 N2 P2 -111.9(2) . . . . ?
N6 P3 N2 P2 133.3(2) . . . . ?
O1 P1 N3 P3 123.8(2) . . . . ?
N1 P1 N3 P3 1.9(3) . . . . ?
N4 P1 N3 P3 -123.9(2) . . . . ?
N5 P3 N3 P1 110.8(3) . . . . ?
N2 P3 N3 P1 -8.9(3) . . . . ?
N6 P3 N3 P1 -133.4(3) . . . . ?
O1 P1 N4 C7 -177.8(3) . . . . ?
N3 P1 N4 C7 67.1(3) . . . . ?
N1 P1 N4 C7 -62.0(3) . . . . ?
O1 P1 N4 C8 -41.9(3) . . . . ?
N3 P1 N4 C8 -157.0(2) . . . . ?
N1 P1 N4 C8 73.9(3) . . . . ?
N3 P3 N5 C11 53.2(4) . . . . ?
N2 P3 N5 C11 178.1(4) . . . . ?
N6 P3 N5 C11 -63.8(4) . . . . ?
N3 P3 N6 C14 54.6(4) . . . . ?
N5 P3 N6 C14 173.2(4) . . . . ?
N2 P3 N6 C14 -72.1(4) . . . . ?
C6 C1 C2 C3 -0.6(7) . . . . ?
C1 C2 C3 C4 0.8(6) . . . . ?
C1 C2 C3 C7 -176.9(4) . . . . ?
C2 C3 C4 C5 -0.2(6) . . . . ?
C7 C3 C4 C5 177.5(4) . . . . ?
C3 C4 C5 C6 -0.6(7) . . . . ?
C2 C1 C6 C5 -0.3(8) . . . . ?
C2 C1 C6 F1 -179.8(4) . . . . ?
C4 C5 C6 C1 0.9(8) . . . . ?
C4 C5 C6 F1 -179.6(4) . . . . ?
C8 N4 C7 C3 71.0(4) . . . . ?
P1 N4 C7 C3 -150.4(3) . . . . ?
C4 C3 C7 N4 59.6(5) . . . . ?
C2 C3 C7 N4 -122.8(4) . . . . ?
C7 N4 C8 C9 -174.5(3) . . . . ?
P1 N4 C8 C9 48.5(4) . . . . ?
N4 C8 C9 C10 -55.9(4) . . . . ?
P1 O1 C10 C9 -60.8(3) . . . . ?
C8 C9 C10 O1 60.9(4) . . . . ?
P3 N5 C11 C12 -141.3(4) . . . . ?
N5 C11 C12 C13 179.4(5) . . . . ?
P3 N6 C14 C15 91.0(7) . . . . ?
N6 C14 C15 C16 167.6(7) . . . . ?
