3-Phenyl-1-(2,4,6-triphenylphenyl)propane-1,3-dione
Abram, S.; Abram, U.; Zimmermann, T.; Acta Crystallographica Section C 50 (1994) 765–767; doi:10.1107/S0108270193010546

data_2009670
_publ_section_title
;
 3-Phenyl-1-(2,4,6-triphenylphenyl)propane-1,3-dione
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              765
_journal_page_last               767
_journal_paper_doi               10.1107/S0108270193010546
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C33 H24 O2'
_chemical_formula_weight         452.56
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                97.308(7)
_cell_angle_beta                 94.774(7)
_cell_angle_gamma                103.166(6)
_cell_formula_units_Z            2
_cell_length_a                   10.6090(10)
_cell_length_b                   10.8650(10)
_cell_length_c                   11.1870(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295.0(10)
_cell_measurement_theta_max      22
_cell_measurement_theta_min      17
_cell_volume                     1237.0(2)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -2
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5608
_diffrn_reflns_theta_max         69
_diffrn_standards_decay_%        1.9
_diffrn_standards_interval_time  200
_diffrn_standards_number         '3 (051, 342, 421)'
_exptl_absorpt_coefficient_mu    0.580
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.215
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.183
_refine_diff_density_min         -0.147
_refine_ls_extinction_coef       0.0085(9)
_refine_ls_extinction_method     'SHELXL93 (Sheldrick, 1993)'
_refine_ls_goodness_of_fit_obs   1.041
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     413
_refine_ls_number_reflns         4278
_refine_ls_R_factor_obs          0.049
_refine_ls_shift/esd_max         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;1/[\s^2^(F~o~^2^) + (0.0724P)^2^ + 0.2901P]
where P = (F~o~^2^ + 2F~c~^2^)/3
;
_refine_ls_wR_factor_obs         0.1265
_reflns_number_observed          2989
_reflns_number_total             4278
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            al1058.cif
_cod_data_source_block           al1058_structure_1_of_1
_cod_database_code               2009670