7β,8β-Epoxyfriedelane
Dey, I.; Banerjee, A.; Acta Crystallographica Section C 51 (1995) 119–121; doi:10.1107/S0108270194003082

data_2010354
_publ_section_title
;
 7\b,8\b-Epoxyfriedelane
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              119
_journal_page_last               121
_journal_paper_doi               10.1107/S0108270194003082
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C30 H50 O'
_chemical_formula_weight         426.70
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 103.57(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   7.8040(10)
_cell_length_b                   11.754(2)
_cell_length_c                   14.443(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    300
_cell_measurement_theta_max      30
_cell_measurement_theta_min      25
_cell_volume                     1287.8(3)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54182
_diffrn_reflns_av_R_equivalents  0.069
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1859
_diffrn_reflns_theta_max         55
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.443
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            White
_exptl_crystal_density_diffrn    1.10
_exptl_crystal_density_meas      1.12
_exptl_crystal_description       Needle
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.261
_refine_diff_density_min         -0.250
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.855
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     280
_refine_ls_number_reflns         1403
_refine_ls_R_factor_obs          0.064
_refine_ls_shift/esd_max         0.75
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.025224F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.062
_reflns_number_observed          1403
_reflns_number_total             1614
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            al1034.cif
_cod_data_source_block           al1034_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F) + 0.025224F^2^]'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w = 1/[\s^2^(F) +
0.025224F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1287.90(3)
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C30 H50 O1'
_cod_database_code               2010354