Substituent effect on the transition from ionic to covalent bonding in triphenylphosphonium ylide derivatives: reactivity of 3-methyl-2,2,2-triphenyl-2H-cyclohepta[d][1,2λ5]oxaphosphole with heterocumulenes
Naya, Shin-ichi; Nitta, Makoto; Journal of the Chemical Society, Perkin Transactions 2  (2002) 1017–; doi:10.1039/b109076n

data_7204274
_publ_section_title
;
 Substituent effect on the transition from ionic to covalent bonding in
 triphenylphosphonium ylide derivatives: reactivity of
 3-methyl-2,2,2-triphenyl-2H-cyclohepta[d][1,2\l5]oxaphosphole with
 heterocumulenes
;
_journal_issue                   5
_journal_name_full
'Journal of the Chemical Society, Perkin Transactions 2'
_journal_page_first              1017
_journal_paper_doi               10.1039/b109076n
_journal_year                    2002
_chemical_formula_moiety         'C27 H23 O P '
_chemical_formula_sum            'C27 H23 O P'
_chemical_formula_weight         394.45
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.5193(4)
_cell_length_b                   13.2112(8)
_cell_length_c                   17.8502(5)
_cell_measurement_reflns_used    21472
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      1.1
_cell_volume                     4131.4(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 2.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9918
_diffrn_measured_fraction_theta_max 0.9918
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.119
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            39328
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_exptl_absorpt_coefficient_mu    0.148
_exptl_absorpt_correction_T_max  0.971
_exptl_absorpt_correction_T_min  0.916
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
Higashi, T. (1999). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            Reddish
_exptl_crystal_density_diffrn    1.268
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.77
_refine_diff_density_min         -0.67
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.347
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     354
_refine_ls_number_reflns         3539
_refine_ls_R_factor_gt           0.0690
_refine_ls_shift/su_max          0.0030
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.010Fo^2^ + 1.000\s^2^(Fo)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1410
_reflns_number_gt                3539
_reflns_number_total             9841
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b109076n.txt
_cod_data_source_block           '_NMeP_____________________'
_cod_original_cell_volume        4131.4(2)
_cod_original_sg_symbol_H-M      Pbca
_cod_original_formula_sum        'C27 H23 O P '
_cod_database_code               7204274