data_9004345 _chemical_name 'Fichtelite' loop_ _publ_author_name 'Mace H A' 'Peterson R C' _journal_name_full "The Canadian Mineralogist" _journal_volume 33 _journal_year 1995 _journal_page_first 7 _journal_page_last 11 _publ_section_title ; The crystal structure of fichtelite, a naturally occuring hydrocarbon ; _chemical_formula_sum 'C19 H33' _cell_length_a 10.706 _cell_length_b 7.458 _cell_length_c 10.824 _cell_angle_alpha 90 _cell_angle_beta 105.85 _cell_angle_gamma 90 _cell_volume 831.388 _symmetry_space_group_name_H-M 'P 1 21 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,1/2+y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_Uiso_or_equiv C1 0.21850 0.44000 0.62330 ? C2 0.22710 0.34700 0.75020 ? C3 0.35960 0.37600 0.84110 ? C4 0.39420 0.57300 0.86510 ? C5 0.37430 0.67100 0.73540 ? C6 0.40930 0.87000 0.75140 ? C7 0.41890 0.95300 0.62560 ? C8 0.29590 0.91900 0.51770 ? C9 0.25950 0.71900 0.50460 ? C10 0.24260 0.64500 0.63480 ? C11 0.14230 0.69700 0.39250 ? C12 0.16540 0.76600 0.26880 ? C13 0.19090 0.96900 0.27800 ? C14 0.31220 -0.00500 0.39200 ? C15 0.20840 0.05800 0.15510 ? C16 0.21200 0.26200 0.17200 ? C17 0.09900 0.01600 0.04200 ? C18 0.32150 0.65700 0.95750 ? C19 0.12920 0.73200 0.66990 ? H1 0.26900 0.40000 0.58200 0.08000 H2 0.88100 -0.08000 0.43900 0.04000 H3 0.79700 -0.29000 0.26800 0.08000 H4 0.13500 0.41600 0.78400 0.07000 H5 0.57400 -0.16500 0.20000 0.06000 H6 0.65300 -0.21300 0.07400 0.08000 H7 0.50600 0.07200 0.10600 0.04000 H8 0.44600 0.61500 0.68100 0.04000 H9 0.48600 0.87200 0.80000 0.07000 H10 0.66200 0.43800 0.20500 0.07000 H11 0.50100 0.39000 0.40000 0.15000 H12 0.52200 0.55000 0.37500 0.16000 H13 0.77200 0.48000 0.46000 0.02000 H14 0.34600 0.61300 0.47800 0.07000 H15 0.96900 0.27000 0.59600 0.12000 H16 0.12600 0.60300 0.37500 0.01000 H17 0.26600 0.68000 0.25400 0.12000 H18 0.89400 0.24100 0.80400 0.02000 H19 0.89200 0.50800 0.70400 0.04000 H20 0.34700 0.11000 0.38600 0.12000 H21 0.39200 0.89000 0.35200 0.13000 H22 0.69400 0.50200 0.85700 0.06000 H23 0.09500 0.92900 0.02800 0.01000 H24 0.14400 0.09000 0.96700 0.14000 H25 -0.01500 0.04000 0.04500 0.12000 H26 0.22800 0.30000 0.10900 0.03000 H27 0.26300 0.33600 0.22600 0.05000 H28 0.20200 0.62000 0.92200 0.16000 H29 0.33400 0.81000 0.98400 0.09000 H30 0.33700 0.62300 0.02600 0.04000 H31 0.10300 0.68900 0.74700 0.07000 H32 0.04800 0.71000 0.61700 0.08000 H33 0.13100 0.85000 0.69500 0.10000