#------------------------------------------------------------------------------ #$Date: 2008-01-26 17:25:03 +0000 (Sat, 26 Jan 2008) $ #$Revision: 20 $ #$URL: svn://www.crystallography.net/cod/cif/2/2004949.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_2004949 _journal_name_full 'Acta Crystallographica' _journal_year 1996 _journal_volume C52 _journal_page_first 1523 _journal_page_last 1525 _publ_section_title ; Cyclohexane-Linked Indenyl Rings in 5,8-Bis(trimethylsilyl)-6,7,12b,12c-tetrahydroindeno[2,1-c]fluorene ; _chemical_formula_moiety 'C26 H32 Si2' _chemical_formula_sum 'C26 H32 Si2' _chemical_formula_weight 400.71 _symmetry_cell_setting triclinic loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _symmetry_space_group_name_H-M 'P -1' _cell_length_a 10.082(2) _cell_length_b 10.912(2) _cell_length_c 12.228(2) _cell_angle_alpha 98.105(15) _cell_angle_beta 108.339(14) _cell_angle_gamma 106.541(15) _cell_volume 1184.1(4) _cell_formula_units_Z 2 _exptl_crystal_density_diffrn 1.124 _exptl_crystal_density_meas 'not measured' _cell_measurement_temperature 130(2) loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Si1 1 -0.35554(9) 0.31156(8) -0.28417(7) 0.0386(2) Si2 1 0.02340(8) 0.11531(7) 0.32065(6) 0.0286(2) C1 1 -0.1634(3) 0.3369(2) -0.1777(2) 0.0321(6) C2 1 -0.0275(3) 0.3816(2) -0.2072(2) 0.0338(6) C3 1 -0.0093(4) 0.4278(3) -0.3038(3) 0.0454(8) H3A 1 -0.0927(34) 0.4257(30) -0.3671(28) 0.045 C4 1 0.1336(5) 0.4722(3) -0.3058(3) 0.0547(9) H4A 1 0.1468(33) 0.5060(30) -0.3705(27) 0.045 C5 1 0.2552(4) 0.4718(3) -0.2146(3) 0.0511(9) H5A 1 0.3536(36) 0.5024(30) -0.2129(27) 0.045 C6 1 0.2380(4) 0.4260(3) -0.1175(3) 0.0409(7) H6A 1 0.3237(35) 0.4330(30) -0.0545(27) 0.045 C7 1 0.0965(3) 0.3796(2) -0.1147(2) 0.0322(6) C8 1 0.0454(3) 0.3307(2) -0.0204(2) 0.0270(5) H8A 1 0.1015(33) 0.3974(30) 0.0582(27) 0.045 C9 1 0.0559(3) 0.1949(2) -0.0008(2) 0.0263(5) H9A 1 0.0120(33) 0.1343(30) -0.0756(28) 0.045 C10 1 0.2078(3) 0.1929(2) 0.0674(2) 0.0275(5) C11 1 0.3312(3) 0.2068(3) 0.0362(3) 0.0339(6) H11A 1 0.3276(32) 0.2221(29) -0.0410(27) 0.045 C12 1 0.4582(3) 0.1966(3) 0.1164(3) 0.0407(7) H12A 1 0.5386(35) 0.2040(30) 0.0941(26) 0.045 C13 1 0.4609(3) 0.1700(3) 0.2232(3) 0.0402(7) H13A 1 0.5483(35) 0.1643(29) 0.2757(27) 0.045 C14 1 0.3366(3) 0.1523(3) 0.2537(3) 0.0344(6) H14A 1 0.3400(34) 0.1323(30) 0.3221(27) 0.045 C15 1 0.2099(3) 0.1645(2) 0.1760(2) 0.0262(5) C16 1 0.0606(3) 0.1439(2) 0.1835(2) 0.0258(5) C17 1 -0.0294(3) 0.1542(2) 0.0792(2) 0.0260(5) C18 1 -0.1903(3) 0.1412(3) 0.0350(2) 0.0296(6) H18A 1 -0.2392(34) 0.1176(30) 0.0863(27) 0.045 H18B 1 -0.2431(33) 0.0719(30) -0.0427(28) 0.045 C19 1 -0.2051(3) 0.2710(3) 0.0079(3) 0.0323(6) H19A 1 -0.3058(36) 0.2605(29) -0.0270(26) 0.045 H19B 1 -0.1626(33) 0.3418(30) 0.0854(28) 0.045 C20 1 -0.1187(3) 0.3148(2) -0.0678(2) 0.0279(6) C21 1 -0.3898(5) 0.1933(4) -0.4220(3) 0.0846(14) H21A 1 -0.3692(20) 0.1165(8) -0.4030(4) 0.045 H21B 1 -0.3259(14) 0.2340(7) -0.4606(9) 0.045 H21C 1 -0.4921(7) 0.1676(14) -0.4744(7) 0.045 C22 1 -0.5079(4) 0.2392(4) -0.2306(4) 0.0730(12) H22A 1 -0.4958(12) 0.2997(8) -0.1601(10) 0.045 H22B 1 -0.5032(13) 0.1573(9) -0.2128(15) 0.045 H22C 1 -0.6028(4) 0.2235(17) -0.2915(7) 0.045 C23 1 -0.3702(4) 0.4704(3) -0.3126(3) 0.0612(10) H23A 1 -0.3637(20) 0.5259(7) -0.2413(6) 0.045 H23B 1 -0.4641(9) 0.4540(4) -0.3750(11) 0.045 H23C 1 -0.2904(12) 0.5138(9) -0.3361(15) 0.045 C24 1 -0.1585(4) 0.1242(4) 0.3187(3) 0.0534(9) H24A 1 -0.2382(4) 0.0514(10) 0.2581(11) 0.045 H24B 1 -0.1665(9) 0.2058(8) 0.3021(15) 0.045 H24C 1 -0.1649(9) 0.1201(18) 0.3948(6) 0.045 C25 1 0.0299(5) -0.0491(3) 0.3402(3) 0.0578(10) H25A 1 0.1191(10) -0.0583(7) 0.3333(16) 0.045 H25B 1 -0.0557(11) -0.1174(3) 0.2800(10) 0.045 H25C 1 0.0298(21) -0.0566(7) 0.4175(7) 0.045 C26 1 0.1692(4) 0.2482(3) 0.4503(3) 0.0535(9) H26A 1 0.2660(4) 0.2490(12) 0.4541(9) 0.045 H26B 1 0.1562(13) 0.2324(10) 0.5221(3) 0.045 H26C 1 0.1607(13) 0.3321(4) 0.4416(8) 0.045