Photochemical Synthesis of Phosphinolines from Phosphonium-Iodonium Ylides
Elena D. Matveeva; Tatyana A. Podrugina; Marina A. Taranova; Anatolyi A. Borisenko; Andrey V. Mironov; Rolf Gleiter; Nikolay S. Zefirov; Journal of Organic Chemistry 76 (2011) 566–572; doi:10.1021/jo101993a

data_4025986
_publ_section_title
;
 Photochemical Synthesis of Phosphinolines from Phosphonium-Iodonium
 Ylides
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              566
_journal_page_last               572
_journal_paper_doi               10.1021/jo101993a
_journal_volume                  76
_journal_year                    2011
_chemical_formula_sum            'C28 H20 B0 F0 N O0 P'
_chemical_formula_weight         401.4
_chemical_name_systematic        ' ?'
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_symmetry_space_group_name_Hall  '-P 1'
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_cell_angle_alpha                93.997(14)
_cell_angle_beta                 115.68(2)
_cell_angle_gamma                101.219(17)
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_cell_length_b                   8.8718(11)
_cell_length_c                   15.547(4)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    293
_cell_measurement_theta_max      20.97
_cell_measurement_theta_min      17.84
_cell_volume                     1052.6(5)
_computing_data_reduction
'Jana2000 (Petricek, Dusek & Palatinus, 2000)'
_computing_publication_material
'Jana2000 (Petricek, Dusek & Palatinus, 2000)'
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'Jana2000 (Petricek, Dusek & Palatinus, 2000)'
_computing_structure_solution    'SIR2002 (Burla, M.C., et. al.)'
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_max 1.00
_diffrn_measurement_device_type  CAD4
_diffrn_measurement_method       \q/1.33\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
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_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
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_exptl_absorpt_correction_T_min  0.940
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
'(Jana2000; Petricek, Dusek & Palatinus, 2000)'
_exptl_crystal_colour            yellow-brown
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_exptl_crystal_F_000             420
_refine_diff_density_max         0.21
_refine_diff_density_min         -0.14
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.71
_refine_ls_goodness_of_fit_ref   1.71
_refine_ls_number_parameters     351
_refine_ls_number_reflns         4028
_refine_ls_R_factor_all          0.0404
_refine_ls_R_factor_gt           0.0404
_refine_ls_shift/su_max          0.0002
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.000625F^2^)
_refine_ls_weighting_scheme      sigma
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_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            jo101993a_si_002.cif
_cod_data_source_block           (I)
_cod_original_cell_volume        1052.7(5)
_cod_original_formula_sum        'C28 H20 B0 F0 N1 O0 P1'
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_cod_database_fobs_code          4025986