Regioselective Intramolecular Markovnikov and Anti-Markovnikov Hydrofunctionalization of Alkenes via Photoredox Catalysis
Wang, Hongyu; Man, Yunquan; Xiang, Yanan; Wang, Kaiye; Li, Na; Tang, Bo; Chemical Communications  (2019) –; doi:10.1039/C9CC05902D

data_7124061
_publ_section_title
;
 Regioselective Intramolecular Markovnikov and Anti-Markovnikov
 Hydrofunctionalization of Alkenes via Photoredox Catalysis
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C9CC05902D
_journal_year                    2019
_chemical_formula_sum            'C17 H18 F6 N2 O'
_chemical_formula_weight         380.33
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2019-06-23 deposited with the CCDC.    2019-08-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 115.226(17)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.8103(17)
_cell_length_b                   21.4003(18)
_cell_length_c                   9.3414(10)
_cell_measurement_reflns_used    1321
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      70.3400
_cell_measurement_theta_min      5.6190
_cell_volume                     1774.1(5)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0285
_diffrn_reflns_av_unetI/netI     0.0351
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            6485
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         70.582
_diffrn_reflns_theta_min         4.132
_exptl_absorpt_coefficient_mu    1.167
_exptl_crystal_density_diffrn    1.424
_exptl_crystal_description       block
_exptl_crystal_F_000             784
_refine_diff_density_max         0.339
_refine_diff_density_min         -0.330
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     235
_refine_ls_number_reflns         3343
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0943
_refine_ls_R_factor_gt           0.0656
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1036P)^2^+0.9343P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1826
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                2218
_reflns_number_total             3343
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9cc05902d2.cif
_cod_data_source_block           C:\Users\win7\Desktop\2648\OLEX2_~1\exp_2648
_cod_database_code               7124061
_shelxl_version_number           2013-4
_shelx_res_checksum              53233