#------------------------------------------------------------------------------ #$Date: 2025-08-19 07:12:48 +0100 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: svn://www.crystallography.net/cod/cif/2/01/02/2010274.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2010274 loop_ _publ_author_name 'Michael J. Fullmer' 'R. Curtis Haltiwanger' 'Nelson Troupe' 'Drake S. Eggleston' _publ_section_title ; Honokiol ; _journal_issue 12 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 1966 _journal_page_last 1967 _journal_paper_doi 10.1107/S0108270194005664 _journal_volume 50 _journal_year 1994 _chemical_formula_structural 'C18 H18 O2' _chemical_formula_sum 'C18 H18 O2' _chemical_formula_weight 266.34 _chemical_name_systematic ; 3,5'-diallyl-2',4-dihydroxybiphenyl ; _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _atom_type_scat_source IntTabIV _cell_angle_alpha 90.00 _cell_angle_beta 94.460(10) _cell_angle_gamma 90.00 _cell_formula_units_Z 4 _cell_length_a 12.572(3) _cell_length_b 14.442(3) _cell_length_c 7.9160(10) _cell_measurement_reflns_used 25 _cell_measurement_temperature 223 _cell_measurement_theta_max 13 _cell_measurement_theta_min 15 _cell_volume 1432.9(5) _computing_cell_refinement 'CAD-4 Operations Manual' _computing_data_collection ' CAD-4 Operations Manual (Enraf-Nonius, 1977)' _computing_data_reduction 'MolEN PROCESS (Fair, 1990)' _computing_molecular_graphics 'ORTEPII (Johnson, 1976)' _computing_publication_material 'BTABLE PTABLE CIF IN MolEN' _computing_structure_refinement 'MolEN LSFM' _computing_structure_solution 'MULTAN80 (Main et al., 1980)' _diffrn_measurement_device 'Enraf-Nonius CAD-4' _diffrn_measurement_method \q/2\q _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.033 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_l_max 3 _diffrn_reflns_limit_l_min -8 _diffrn_reflns_number 2904 _diffrn_reflns_theta_max 22.43 _diffrn_standards_decay_% -1.11 _diffrn_standards_interval_time 180 _diffrn_standards_number 3 _exptl_absorpt_coefficient_mu 0.074 _exptl_absorpt_correction_type none _exptl_crystal_colour colorless _exptl_crystal_density_diffrn 1.235 _exptl_crystal_description prism _exptl_crystal_F_000 568 _exptl_crystal_size_max 0.70 _exptl_crystal_size_mid 0.40 _exptl_crystal_size_min 0.40 _refine_diff_density_max 0.2101 _refine_diff_density_min -0.1769 _refine_ls_extinction_coef 0.15E-5(1) _refine_ls_extinction_method 'isotropic (Zachariasen, 1963)' _refine_ls_goodness_of_fit_obs 1.531 _refine_ls_hydrogen_treatment ' H atoms refined with U = 1.3xU~eq~(C or O)' _refine_ls_number_parameters 190 _refine_ls_number_reflns 1218 _refine_ls_R_factor_obs 0.041 _refine_ls_shift/esd_max 0.000 _refine_ls_structure_factor_coef F _refine_ls_weighting_details 'w = 4F~o~^2^/[\s^2^(F~o~^2^) + 0.0016F~o~^4^]' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_obs 0.049 _reflns_number_observed 1218 _reflns_number_total 1876 _reflns_observed_criterion >3.0\s(I) _cod_data_source_file cr1143.cif _cod_data_source_block Honokiol _cod_depositor_comments ; Updating space group information and adding the symmetry operation list. Antanas Vaitkus, 2018-06-15 Adding the _atom_site_type_symbol data item to prevent confusion between hydrogen and holmium atoms. Saulius Gra\