#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/02/7100253.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_7100253
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b509041e
_journal_year                    2005
_chemical_formula_sum            'C29 H45 N O4 Si2'
_chemical_formula_weight         527.84
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.6800(10)
_cell_angle_beta                 102.9000(10)
_cell_angle_gamma                89.8000(10)
_cell_formula_units_Z            4
_cell_length_a                   11.2940(10)
_cell_length_b                   16.4190(10)
_cell_length_c                   17.5230(10)
_cell_measurement_temperature    150.0(10)
_cell_volume                     3098.8(4)
_diffrn_ambient_temperature      150.0(10)
_exptl_crystal_density_diffrn    1.131
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               7100253
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si -0.29398(7) 0.66807(5) 0.32216(5) 0.0427(2) Uani 1 1 d . . .
Si2 Si -0.22681(6) 0.20626(5) 0.32792(5) 0.0371(2) Uani 1 1 d . . .
Si3 Si 0.27630(7) 0.42684(5) 0.33397(5) 0.0405(2) Uani 1 1 d . . .
Si4 Si 0.20263(7) -0.03613(5) 0.31777(5) 0.0422(2) Uani 1 1 d . . .
O1 O -0.34845(15) 0.57197(11) 0.30890(11) 0.0411(5) Uani 1 1 d . . .
O2 O -0.35559(19) 0.40014(16) -0.06129(13) 0.0702(7) Uani 1 1 d . . .
O3 O -0.11167(18) 0.31181(15) 0.14697(13) 0.0605(6) Uani 1 1 d . . .
O4 O -0.30893(15) 0.28279(12) 0.30167(12) 0.0438(5) Uani 1 1 d . . .
O5 O 0.18979(15) 0.34092(11) 0.30289(11) 0.0432(5) Uani 1 1 d . . .
O6 O 0.14670(15) 0.05333(11) 0.30295(11) 0.0390(5) Uani 1 1 d . . .
O7 O 0.14230(19) 0.07571(15) -0.06283(13) 0.0665(7) Uani 1 1 d . . .
O8 O 0.38408(18) 0.25214(13) 0.14624(13) 0.0580(6) Uani 1 1 d . . .
N1 N -0.21088(19) 0.35674(14) 0.03509(13) 0.0409(6) Uani 1 1 d . . .
N2 N 0.28605(19) 0.16028(14) 0.03340(13) 0.0396(6) Uani 1 1 d . . .
C1 C -0.3298(3) 0.3709(2) -0.00263(19) 0.0484(8) Uani 1 1 d . . .
C2 C -0.4160(2) 0.34361(19) 0.04372(18) 0.0461(8) Uani 1 1 d . . .
H2 H -0.4686 0.2953 0.0089 0.055 Uiso 1 1 calc R . .
C3 C -0.4974(2) 0.41548(18) 0.06724(18) 0.0452(8) Uani 1 1 d . . .
H3A H -0.5271 0.4419 0.0209 0.054 Uiso 1 1 calc R . .
H3B H -0.5689 0.3931 0.0815 0.054 Uiso 1 1 calc R . .
C4 C -0.4295(2) 0.47959(18) 0.13670(17) 0.0408(7) Uani 1 1 d . . .
H4 H -0.4352 0.5374 0.1371 0.049 Uiso 1 1 calc R . .
C5 C -0.3610(2) 0.45235(17) 0.19764(16) 0.0362(7) Uani 1 1 d . . .
C6 C -0.2904(2) 0.49919(16) 0.27815(17) 0.0381(7) Uani 1 1 d . . .
H6 H -0.2073 0.5153 0.2736 0.046 Uiso 1 1 calc R . .
C7 C -0.2801(2) 0.43453(17) 0.33034(17) 0.0416(7) Uani 1 1 d . . .
H7A H -0.3529 0.4331 0.3527 0.050 Uiso 1 1 calc R . .
H7B H -0.2071 0.4468 0.3749 0.050 Uiso 1 1 calc R . .
C8 C -0.2698(2) 0.35235(17) 0.27391(16) 0.0381(7) Uani 1 1 d . . .
H8 H -0.1845 0.3459 0.2671 0.046 Uiso 1 1 calc R . .
C9 C -0.3551(2) 0.36089(16) 0.19523(16) 0.0351(7) Uani 1 1 d . . .
H9 H -0.4377 0.3416 0.1978 0.042 Uiso 1 1 calc R . .
C10 C -0.3334(2) 0.31419(18) 0.11481(17) 0.0427(7) Uani 1 1 d . . .
H10 H -0.3511 0.2534 0.1095 0.051 Uiso 1 1 calc R . .
C11 C -0.2057(3) 0.32631(18) 0.10471(18) 0.0440(7) Uani 1 1 d . . .
C12 C -0.1047(3) 0.36915(18) 0.00497(18) 0.0434(7) Uani 1 1 d . . .
C13 C -0.0037(3) 0.41284(19) 0.05532(19) 0.0468(8) Uani 1 1 d . . .
H13 H -0.0044 0.4368 0.1093 0.056 Uiso 1 1 calc R . .
C14 C 0.0995(3) 0.4215(2) 0.0262(2) 0.0539(9) Uani 1 1 d . . .
H14 H 0.1697 0.4514 0.0605 0.065 Uiso 1 1 calc R . .
C15 C 0.1000(3) 0.3870(2) -0.0517(2) 0.0645(10) Uani 1 1 d . . .
H15 H 0.1709 0.3927 -0.0711 0.077 Uiso 1 1 calc R . .
C16 C -0.0012(3) 0.3443(2) -0.1017(2) 0.0645(10) Uani 1 1 d . . .
H16 H 0.0000 0.3207 -0.1557 0.077 Uiso 1 1 calc R . .
C17 C -0.1052(3) 0.3350(2) -0.07415(19) 0.0556(9) Uani 1 1 d . . .
H17 H -0.1757 0.3058 -0.1089 0.067 Uiso 1 1 calc R . .
C18 C -0.1678(3) 0.6919(2) 0.4125(2) 0.0662(10) Uani 1 1 d . . .
H18A H -0.1968 0.6833 0.4591 0.099 Uiso 1 1 calc R . .
H18B H -0.1386 0.7499 0.4211 0.099 Uiso 1 1 calc R . .
H18C H -0.1011 0.6549 0.4049 0.099 Uiso 1 1 calc R . .
C19 C -0.2383(3) 0.6805(2) 0.2324(2) 0.0680(10) Uani 1 1 d . . .
H19A H -0.1754 0.6405 0.2241 0.102 Uiso 1 1 calc R . .
H19B H -0.2040 0.7372 0.2408 0.102 Uiso 1 1 calc R . .
H19C H -0.3061 0.6702 0.1853 0.102 Uiso 1 1 calc R . .
C20 C -0.4248(3) 0.73483(18) 0.33480(19) 0.0501(8) Uani 1 1 d . . .
C21 C -0.5319(3) 0.7089(2) 0.2618(2) 0.0779(11) Uani 1 1 d . . .
H21A H -0.6011 0.7431 0.2694 0.117 Uiso 1 1 calc R . .
H21B H -0.5552 0.6501 0.2559 0.117 Uiso 1 1 calc R . .
H21C H -0.5073 0.7168 0.2134 0.117 Uiso 1 1 calc R . .
C22 C -0.3867(3) 0.8271(2) 0.3433(3) 0.0798(12) Uani 1 1 d . . .
H22A H -0.3604 0.8342 0.2953 0.120 Uiso 1 1 calc R . .
H22B H -0.3195 0.8439 0.3903 0.120 Uiso 1 1 calc R . .
H22C H -0.4560 0.8619 0.3497 0.120 Uiso 1 1 calc R . .
C23 C -0.4665(3) 0.7242(2) 0.4097(2) 0.0777(11) Uani 1 1 d . . .
H23A H -0.5390 0.7563 0.4139 0.116 Uiso 1 1 calc R . .
H23B H -0.4014 0.7444 0.4572 0.116 Uiso 1 1 calc R . .
H23C H -0.4860 0.6652 0.4060 0.116 Uiso 1 1 calc R . .
C24 C -0.1645(3) 0.14973(19) 0.24413(18) 0.0482(8) Uani 1 1 d . . .
H24A H -0.2308 0.1196 0.2019 0.072 Uiso 1 1 calc R . .
H24B H -0.1060 0.1101 0.2634 0.072 Uiso 1 1 calc R . .
H24C H -0.1237 0.1895 0.2227 0.072 Uiso 1 1 calc R . .
C25 C -0.1001(3) 0.2469(2) 0.41474(19) 0.0618(9) Uani 1 1 d . . .
H25A H -0.0482 0.2862 0.4003 0.093 Uiso 1 1 calc R . .
H25B H -0.0520 0.2006 0.4301 0.093 Uiso 1 1 calc R . .
H25C H -0.1331 0.2753 0.4598 0.093 Uiso 1 1 calc R . .
C26 C -0.3376(2) 0.13747(18) 0.35432(17) 0.0402(7) Uani 1 1 d . . .
C27 C -0.4414(2) 0.1067(2) 0.28082(19) 0.0581(9) Uani 1 1 d . . .
H27A H -0.4996 0.0714 0.2948 0.087 Uiso 1 1 calc R . .
H27B H -0.4082 0.0745 0.2375 0.087 Uiso 1 1 calc R . .
H27C H -0.4826 0.1546 0.2633 0.087 Uiso 1 1 calc R . .
C28 C -0.3913(3) 0.1864(2) 0.4222(2) 0.0651(10) Uani 1 1 d . . .
H28A H -0.4330 0.2343 0.4050 0.098 Uiso 1 1 calc R . .
H28B H -0.3258 0.2059 0.4696 0.098 Uiso 1 1 calc R . .
H28C H -0.4495 0.1502 0.4351 0.098 Uiso 1 1 calc R . .
C29 C -0.2745(3) 0.0620(2) 0.3800(2) 0.0567(9) Uani 1 1 d . . .
H29A H -0.3331 0.0264 0.3932 0.085 Uiso 1 1 calc R . .
H29B H -0.2080 0.0806 0.4271 0.085 Uiso 1 1 calc R . .
H29C H -0.2416 0.0305 0.3361 0.085 Uiso 1 1 calc R . .
C30 C 0.2906(3) 0.21924(18) 0.10357(18) 0.0422(7) Uani 1 1 d . . .
C31 C 0.1626(2) 0.23415(18) 0.11461(16) 0.0394(7) Uani 1 1 d . . .
H31 H 0.1434 0.2929 0.1107 0.047 Uiso 1 1 calc R . .
C32 C 0.1423(2) 0.21957(16) 0.19499(16) 0.0344(7) Uani 1 1 d . . .
H32 H 0.0597 0.2399 0.1986 0.041 Uiso 1 1 calc R . .
C33 C 0.2280(2) 0.26006(17) 0.27387(16) 0.0382(7) Uani 1 1 d . . .
H33 H 0.3134 0.2631 0.2671 0.046 Uiso 1 1 calc R . .
C34 C 0.2161(2) 0.19995(17) 0.32860(16) 0.0409(7) Uani 1 1 d . . .
H34A H 0.2883 0.2055 0.3736 0.049 Uiso 1 1 calc R . .
H34B H 0.1426 0.2107 0.3505 0.049 Uiso 1 1 calc R . .
C35 C 0.2061(2) 0.11411(17) 0.27470(16) 0.0369(7) Uani 1 1 d . . .
H35 H 0.2893 0.0958 0.2703 0.044 Uiso 1 1 calc R . .
C36 C 0.1365(2) 0.12821(17) 0.19461(16) 0.0343(7) Uani 1 1 d . . .
C37 C 0.0677(2) 0.07625(18) 0.13290(17) 0.0393(7) Uani 1 1 d . . .
H37 H 0.0617 0.0183 0.1319 0.047 Uiso 1 1 calc R . .
C38 C -0.0002(2) 0.11260(18) 0.06464(17) 0.0415(7) Uani 1 1 d . . .
H38A H -0.0717 0.1411 0.0796 0.050 Uiso 1 1 calc R . .
H38B H -0.0301 0.0672 0.0174 0.050 Uiso 1 1 calc R . .
C39 C 0.0815(2) 0.17536(18) 0.04262(17) 0.0430(7) Uani 1 1 d . . .
H39 H 0.0288 0.2094 0.0084 0.052 Uiso 1 1 calc R . .
C40 C 0.1679(3) 0.1298(2) -0.00357(18) 0.0461(8) Uani 1 1 d . . .
C41 C 0.3916(3) 0.13541(18) 0.00232(17) 0.0433(7) Uani 1 1 d . . .
C42 C 0.4930(3) 0.11186(18) 0.05215(18) 0.0456(8) Uani 1 1 d . . .
H42 H 0.4925 0.1102 0.1060 0.055 Uiso 1 1 calc R . .
C43 C 0.5951(3) 0.09075(19) 0.02254(19) 0.0532(8) Uani 1 1 d . . .
H43 H 0.6655 0.0749 0.0565 0.064 Uiso 1 1 calc R . .
C44 C 0.5960(3) 0.0924(2) -0.0553(2) 0.0612(9) Uani 1 1 d . . .
H44 H 0.6668 0.0781 -0.0751 0.073 Uiso 1 1 calc R . .
C45 C 0.4948(3) 0.1148(2) -0.1042(2) 0.0660(10) Uani 1 1 d . . .
H45 H 0.4954 0.1154 -0.1582 0.079 Uiso 1 1 calc R . .
C46 C 0.3906(3) 0.1368(2) -0.07619(18) 0.0542(8) Uani 1 1 d . . .
H46 H 0.3204 0.1524 -0.1104 0.065 Uiso 1 1 calc R . .
C47 C 0.4035(3) 0.4142(2) 0.4170(2) 0.0762(11) Uani 1 1 d . . .
H47A H 0.3712 0.4034 0.4616 0.114 Uiso 1 1 calc R . .
H47B H 0.4556 0.4652 0.4347 0.114 Uiso 1 1 calc R . .
H47C H 0.4512 0.3673 0.3987 0.114 Uiso 1 1 calc R . .
C48 C 0.3383(3) 0.4515(2) 0.2513(2) 0.0643(10) Uani 1 1 d . . .
H48A H 0.3778 0.4028 0.2273 0.097 Uiso 1 1 calc R . .
H48B H 0.3980 0.4984 0.2724 0.097 Uiso 1 1 calc R . .
H48C H 0.2720 0.4664 0.2106 0.097 Uiso 1 1 calc R . .
C49 C 0.1706(2) 0.50821(18) 0.36625(18) 0.0452(8) Uani 1 1 d . . .
C50 C 0.0708(3) 0.5172(2) 0.2937(2) 0.0694(10) Uani 1 1 d . . .
H50A H 0.0146 0.5591 0.3106 0.104 Uiso 1 1 calc R . .
H50B H 0.0261 0.4637 0.2704 0.104 Uiso 1 1 calc R . .
H50C H 0.1076 0.5347 0.2537 0.104 Uiso 1 1 calc R . .
C51 C 0.2401(3) 0.5924(2) 0.4024(2) 0.0678(10) Uani 1 1 d . . .
H51A H 0.2788 0.6090 0.3627 0.102 Uiso 1 1 calc R . .
H51B H 0.3026 0.5874 0.4498 0.102 Uiso 1 1 calc R . .
H51C H 0.1834 0.6346 0.4177 0.102 Uiso 1 1 calc R . .
C52 C 0.1109(3) 0.4831(2) 0.4286(2) 0.0812(12) Uani 1 1 d . . .
H52A H 0.0590 0.5274 0.4468 0.122 Uiso 1 1 calc R . .
H52B H 0.1740 0.4743 0.4742 0.122 Uiso 1 1 calc R . .
H52C H 0.0614 0.4315 0.4048 0.122 Uiso 1 1 calc R . .
C53 C 0.3299(3) -0.0187(2) 0.4083(2) 0.0626(9) Uani 1 1 d . . .
H53A H 0.3965 0.0136 0.3992 0.094 Uiso 1 1 calc R . .
H53B H 0.3590 -0.0725 0.4190 0.094 Uiso 1 1 calc R . .
H53C H 0.3013 0.0121 0.4543 0.094 Uiso 1 1 calc R . .
C54 C 0.2597(3) -0.0879(2) 0.2293(2) 0.0675(10) Uani 1 1 d . . .
H54A H 0.1927 -0.0972 0.1816 0.101 Uiso 1 1 calc R . .
H54B H 0.2926 -0.1415 0.2378 0.101 Uiso 1 1 calc R . .
H54C H 0.3239 -0.0524 0.2217 0.101 Uiso 1 1 calc R . .
C55 C 0.0717(3) -0.09711(19) 0.33102(19) 0.0493(8) Uani 1 1 d . . .
C56 C 0.0263(3) -0.0508(2) 0.4034(2) 0.0668(10) Uani 1 1 d . . .
H56A H -0.0437 -0.0820 0.4094 0.100 Uiso 1 1 calc R . .
H56B H 0.0021 0.0047 0.3953 0.100 Uiso 1 1 calc R . .
H56C H 0.0915 -0.0456 0.4518 0.100 Uiso 1 1 calc R . .
C57 C -0.0335(3) -0.1055(2) 0.2564(2) 0.0732(11) Uani 1 1 d . . .
H57A H -0.0068 -0.1361 0.2095 0.110 Uiso 1 1 calc R . .
H57B H -0.0575 -0.0500 0.2480 0.110 Uiso 1 1 calc R . .
H57C H -0.1030 -0.1358 0.2642 0.110 Uiso 1 1 calc R . .
C58 C 0.1116(3) -0.1841(2) 0.3440(2) 0.0748(11) Uani 1 1 d . . .
H58A H 0.1781 -0.1782 0.3917 0.112 Uiso 1 1 calc R . .
H58B H 0.1393 -0.2139 0.2972 0.112 Uiso 1 1 calc R . .
H58C H 0.0427 -0.2154 0.3513 0.112 Uiso 1 1 calc R . .
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
Si1 O1 1.6482(19) . ?
Si1 C18 1.853(3) . ?
Si1 C20 1.863(3) . ?
Si1 C19 1.866(3) . ?
Si2 O4 1.6388(19) . ?
Si2 C24 1.849(3) . ?
Si2 C25 1.852(3) . ?
Si2 C26 1.880(3) . ?
Si3 O5 1.6439(19) . ?
Si3 C47 1.847(3) . ?
Si3 C48 1.856(3) . ?
Si3 C49 1.875(3) . ?
Si4 O6 1.6426(19) . ?
Si4 C54 1.858(3) . ?
Si4 C53 1.861(3) . ?
Si4 C55 1.871(3) . ?
O1 C6 1.428(3) . ?
O2 C1 1.199(3) . ?
O3 C11 1.205(3) . ?
O4 C8 1.436(3) . ?
O5 C33 1.424(3) . ?
O6 C35 1.430(3) . ?
O7 C40 1.202(3) . ?
O8 C30 1.206(3) . ?
N1 C11 1.399(4) . ?
N1 C1 1.400(3) . ?
N1 C12 1.444(3) . ?
N2 C40 1.392(3) . ?
N2 C30 1.394(4) . ?
N2 C41 1.442(3) . ?
C1 C2 1.520(4) . ?
C2 C3 1.540(4) . ?
C2 C10 1.541(4) . ?
C3 C4 1.499(4) . ?
C4 C5 1.327(4) . ?
C5 C9 1.495(4) . ?
C5 C6 1.510(4) . ?
C6 C7 1.524(4) . ?
C7 C8 1.524(4) . ?
C8 C9 1.527(4) . ?
C9 C10 1.533(4) . ?
C10 C11 1.511(4) . ?
C12 C13 1.376(4) . ?
C12 C17 1.385(4) . ?
C13 C14 1.390(4) . ?
C14 C15 1.369(4) . ?
C15 C16 1.369(5) . ?
C16 C17 1.386(4) . ?
C20 C23 1.532(4) . ?
C20 C21 1.541(4) . ?
C20 C22 1.546(4) . ?
C26 C29 1.524(4) . ?
C26 C27 1.534(4) . ?
C26 C28 1.535(4) . ?
C30 C31 1.513(4) . ?
C31 C39 1.536(4) . ?
C31 C32 1.541(4) . ?
C32 C36 1.500(4) . ?
C32 C33 1.525(4) . ?
C33 C34 1.534(4) . ?
C34 C35 1.518(4) . ?
C35 C36 1.510(4) . ?
C36 C37 1.325(4) . ?
C37 C38 1.501(4) . ?
C38 C39 1.546(4) . ?
C39 C40 1.506(4) . ?
C41 C46 1.378(4) . ?
C41 C42 1.382(4) . ?
C42 C43 1.383(4) . ?
C43 C44 1.372(4) . ?
C44 C45 1.365(4) . ?
C45 C46 1.393(4) . ?
C49 C52 1.526(4) . ?
C49 C50 1.531(4) . ?
C49 C51 1.537(4) . ?
C55 C56 1.531(4) . ?
C55 C58 1.541(4) . ?
C55 C57 1.541(4) . ?
