data_global _chemical_name_mineral 'Hoelite' loop_ _publ_author_name 'Murty B V R' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 113 _journal_year 1960 _journal_page_first 445 _journal_page_last 465 _publ_section_title ; Refinement of the structure of anthraquinone ; _database_code_amcsd 0010586 _chemical_formula_sum 'C7 O H4' _cell_length_a 15.810 _cell_length_b 3.942 _cell_length_c 7.865 _cell_angle_alpha 90 _cell_angle_beta 102.72 _cell_angle_gamma 90 _cell_volume 478.141 _exptl_crystal_density_diffrn 1.446 _symmetry_space_group_name_H-M 'P 1 21/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z CA* 0.13130 0.41800 0.39680 CB* 0.05150 0.27400 0.34010 CC* 0.02720 0.14200 0.17290 CE 0.08320 0.15300 0.06230 CF 0.16500 0.29800 0.12020 CG 0.18990 0.43200 0.28530 CD 0.05950 0.01300 -0.11630 O 0.10980 0.02600 -0.21450 HF 0.20200 0.32400 0.04800 HG 0.25000 0.58400 0.32600 HA* 0.15000 0.54400 0.51200 HB* 0.01600 0.27800 0.40900