5-Methyl-3-(1-phenylethylidene)-2,3-dihydrobenzo[<i>b</i>]furan-2-one
Selladurai, S.; Subramanian, K.; Lakshmi, S.; Chen, Y.-S.; Holt, E. J.; Narasinga Rao, S.; Acta Crystallographica Section C 52 (1996) 94–95; doi:10.1107/S0108270195010122

data_2004444
_publ_section_title
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 5-Methyl-3-(1-phenylethylidene)-2,3-dihydrobenzo[<i>b</i>]furan-2-one
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_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              94
_journal_page_last               95
_journal_paper_doi               10.1107/S0108270195010122
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C17 H14 O2'
_chemical_formula_weight         250.3
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           'Cromer & Mann (1968)'
_cell_angle_alpha                108.26(4)
_cell_angle_beta                 78.48(4)
_cell_angle_gamma                67.38(4)
_cell_formula_units_Z            2
_cell_length_a                   9.890(5)
_cell_length_b                   9.258(4)
_cell_length_c                   8.878(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      15
_cell_measurement_theta_min      11.5
_cell_volume                     663.3(7)
_diffrn_measurement_device       'Syntex P3'
_diffrn_measurement_method       '\q/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            1901
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        <5
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.0757
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.253
_exptl_crystal_density_meas      1.249
_exptl_crystal_description       block
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.2
_refine_diff_density_min         0.6
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.271
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     214
_refine_ls_number_reflns         913
_refine_ls_R_factor_obs          0.063
_refine_ls_shift/esd_max         0.58
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.083
_reflns_number_observed          913
_reflns_number_total             1705
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            sz1043.cif
_cod_data_source_block           sz1043a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value ' 1/\s^2^(F)' 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)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        663.3(6)
_cod_database_code               2004444