data_2001968
_journal_name_full 'Acta Crystallographica, Section C'
_journal_year 1993
_journal_volume C49
_journal_page_first 307
_journal_page_last 310
loop_
_publ_author_name
'Platzbecker, R.'
'Will, G.'
'Luaktien, G.'
'Frahm, A.W.'
_chemical_formula_moiety 'C21 H26 N1 O1,Cl1'
_chemical_formula_sum 'C21 H26 Cl1 N1 O1'
_chemical_formula_weight 343.73
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'P 21 21 21'
_symmetry_space_group_name_Hall ?
_cell_length_a 8.5880(10)
_cell_length_b 11.7000(10)
_cell_length_c 18.130(2)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume 1821.7(4)
_cell_formula_units_Z 4
_exptl_crystal_density_diffrn 1.254
_exptl_crystal_density_meas ?
_exptl_crystal_F_000 736
_exptl_absorpt_coefficient_mu 2.139
_diffrn_radiation_type Mo
_diffrn_radiation_wavelength 0.71069
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cl .11134(6) .59331(4) .49305(3)
O .3519(2) .72250(10)
.62446(7)
N .2557(2) .85480(10)
.51739(8)
C(1) .3211(2) .8170(2) .64440(10)
C(2) .2179(2) .8955(2) .59580(10)
C(3) .2578(3) 1.0227(2) .60450(10)
C(4) .2992(3) 1.0582(2) .68220(10)
C(5) .4300(3) .9867(3) .7133(2)
C(6) .3775(3) .8629(2) .71800(10)
C(7) .0445(2) .8646(2) .60940(10)
C(a) .1600(2) .8904(2) .45120(10)
C(b) .2340(3) .8342(2) .38450(10)
C(1') -.0294(2) .9018(2) .67980(10)
C(2') -.1039(3) 1.0071(2) .6829(2)
C(3') -.1735(3) 1.0468(3) .7451(2)
C(4') -.1680(3) .9835(3) .8068(2)
C(5') -.1015(3) .8759(3) .80680(10)
C(6') -.0309(3) .8340(3) .74150(10)
C(1") .1427(2) 1.0187(2) .44280(10)
C(2") -.0035(3) 1.0680(2) .44630(10)
C(3") -.0202(4) 1.1842(2) .4367(2)
C(4") .1078(4) 1.2518(2) .4239(2)
C(5") .2528(3) 1.2030(2) .41800(10)
C(6") .2698(3) 1.0861(2) .42680(10)
H(1) .249(2) .777(2) .5140(10)
H(2) .360(2) .8710(10)
 .5070(10)