Visible-light-initiated catalyst-free oxidative cleavage of (Z)-triaryl-substituted alkenes containing pyridyl motif under ambient conditions
Li, Wenjing; Li, Shun; Luo, Lihua; Ge, Yicen; Xu, Jiaqi; Zheng, Xueli; Yuan, Maolin; Li, Ruixiang; Chen, Hua; Fu, Haiyan; Green Chemistry 23 (2021) 3649–3655; doi:10.1039/D1GC00716E

data_7242614
_publ_section_title
;
 Visible-light-initiated catalyst-free oxidative cleavage of
 (Z)-triaryl-substituted alkenes containing pyridyl motif under ambient
 conditions
;
_journal_issue                   10
_journal_name_full               'Green Chemistry'
_journal_page_first              3649
_journal_page_last               3655
_journal_paper_doi               10.1039/D1GC00716E
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C18 H13 N O'
_chemical_formula_weight         259.29
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-01-13 deposited with the CCDC.	2021-04-06 downloaded from the CCDC.
;
_cell_angle_alpha                93.473(7)
_cell_angle_beta                 98.583(7)
_cell_angle_gamma                109.416(8)
_cell_formula_units_Z            2
_cell_length_a                   7.1154(7)
_cell_length_b                   9.6387(8)
_cell_length_c                   10.8333(9)
_cell_measurement_temperature    293(2)
_cell_volume                     688.03(11)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0182
_diffrn_reflns_av_unetI/netI     0.0364
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            5657
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         3.086
_exptl_absorpt_coefficient_mu    0.078
_exptl_crystal_density_diffrn    1.252
_exptl_crystal_F_000             272
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.250
_refine_diff_density_max         0.150
_refine_diff_density_min         -0.226
_refine_diff_density_rms         0.046
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     181
_refine_ls_number_reflns         2806
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0737
_refine_ls_R_factor_gt           0.0502
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0578P)^2^+0.0615P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1137
_refine_ls_wR_factor_ref         0.1315
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1992
_reflns_number_total             2806
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1gc00716e2.cif
_cod_data_source_block           200821_s2_lwj
_cod_depositor_comments          'Adding full bibliography for 7242614.cif.'
_cod_database_code               7242614
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.973
_shelx_estimated_absorpt_t_max   0.981
_shelx_res_checksum              84376
_shelx_hkl_checksum              45883