#------------------------------------------------------------------------------ #$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: file:///home/coder/svn-repositories/cod/cif/5/5000081.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_5000081 _chemical_formula_sum 'C18 H32 O2' _symmetry_cell_setting monoclinic _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _[local]_cod_cif_authors_sg_H-M 'P 21/c' loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -x,1/2+y,1/2-z 3 -x,-y,-z 4 x,-1/2-y,-1/2+z _cell_length_a 42.98(3) _cell_length_b 4.632(3) _cell_length_c 9.377(6) _cell_angle_alpha 90 _cell_angle_beta 109.38(8) _cell_angle_gamma 90 _cell_formula_units_Z 4 loop_ _atom_type_symbol _atom_type_radius_bond C 0.68 O 0.68 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z O1 O 0.03670 -0.07940 0.98210 O2 O 0.00420 0.29780 0.88720 C1 C 0.03090 0.15120 0.91140 C2 C 0.05490 0.28640 0.84480 C3 C 0.08090 0.08100 0.82060 C4 C 0.10690 0.25520 0.77860 C5 C 0.13260 0.06440 0.74720 C6 C 0.15850 0.24260 0.70640 C7 C 0.18500 0.06270 0.67480 C8 C 0.21000 0.24480 0.63220 C9 C 0.23570 0.06420 0.59450 C10 C 0.26800 0.06790 0.66440 C11 C 0.28720 0.25840 0.79390 C12 C 0.30670 0.06400 0.92430 C13 C 0.33870 0.06100 0.99570 C14 C 0.36370 0.24500 0.95650 C15 C 0.38930 0.04910 0.91850 C16 C 0.41630 0.23170 0.88780 C17 C 0.44160 0.03690 0.84880 C18 C 0.46950 0.21100 0.82200 _cod_database_code 5000081