data_global _amcsd_formula_title 'C16H25NO' loop_ _publ_author_name 'Marsh R E' 'Herbstein F H' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 44 _journal_year 1988 _journal_page_first 77 _journal_page_last 88 _publ_section_title ; More space-group changes ; _database_code_amcsd 0009818 _chemical_formula_sum 'C16 N O' _cell_length_a 24.28 _cell_length_b 8.76 _cell_length_c 14.03 _cell_angle_alpha 90 _cell_angle_beta 108.00 _cell_angle_gamma 90 _cell_volume 2838.029 _exptl_crystal_density_diffrn 1.040 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv C1 0.30150 0.38720 0.41640 0.02720 C2 0.36590 0.34210 0.47230 0.01670 C3 0.37520 0.26510 0.57620 0.02750 C4 0.42830 0.33550 0.64820 0.03350 C5 0.42460 0.49920 0.61540 0.03980 C6 0.40290 0.49790 0.50110 0.02460 C7 0.36520 0.62970 0.44610 0.03320 C8 0.34000 0.59290 0.33250 0.05270 C9 0.30000 0.45850 0.32020 0.03060 C10 0.27840 0.50840 0.47400 0.03590 C11 0.31200 0.66300 0.48390 0.04340 C12 0.45000 0.20350 0.44150 0.02240 C13 0.47090 0.14360 0.35930 0.02930 C14 0.43480 0.00760 0.30670 0.04090 C15 0.37010 0.05010 0.27310 0.03900 C16 0.35290 0.11710 0.36100 0.02760 N 0.38790 0.25240 0.40400 0.01660 O 0.27050 0.41120 0.23530 0.05810