Ni-Catalyzed Reductive Dicarbofunctionalization of Nonactivated Alkenes: Scope and Mechanistic Insights.
Shu, Wei; García-Domínguez, Andrés; Quirós, M Teresa; Mondal, Rahul; Cárdenas, Diego J; Nevado, Cristina; Journal of the American Chemical Society 141 (2019) 13812–13821; doi:10.1021/jacs.9b02973

data_4128820
_publ_section_title
;
 Ni-Catalyzed Reductive Dicarbofunctionalization of Nonactivated Alkenes:
 Scope and Mechanistic Insights.
;
_journal_issue                   35
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13812
_journal_page_last               13821
_journal_paper_doi               10.1021/jacs.9b02973
_journal_volume                  141
_journal_year                    2019
_chemical_formula_moiety         'C24 H33 N O4'
_chemical_formula_sum            'C24 H33 N O4'
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_cell_length_c                   21.8632(3)
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_cell_measurement_theta_min      3.6390
_cell_volume                     2324.41(6)
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'CrysAlisPro, Version 1.171.38.46 (Rigaku Oxford Diffraction, 2017)'
_computing_data_collection
'CrysAlisPro, Version 1.171.38.46 (Rigaku Oxford Diffraction, 2017)'
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'CrysAlisPro, Version 1.171.38.46 (Rigaku Oxford Diffraction, 2017)'
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_diffrn_detector                 'CCD area detector'
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_diffrn_detector_type            'Atlas CCD area detector on \k goniostat'
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_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device       'four-circle \k-geometry diffractometer'
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'Oxford Diffraction SuperNova, dual radiation diffractometer'
_diffrn_measurement_method       '\w scans'
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_diffrn_reflns_av_unetI/netI     0.0131
_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_k_min       -7
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_diffrn_reflns_limit_l_min       -26
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_diffrn_reflns_theta_full        67.684
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_diffrn_source                   'micro-focus sealed X-ray tube'
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_exptl_absorpt_process_details
;
Empirical absorption correction using spherical harmonics,
implemented in the SCALE3 ABSPACK scaling algorithm.
CrysAlisPro, Version 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.142
_exptl_crystal_description       needle
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_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.07
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         4680
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_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0432
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_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^)+(0.0515P)^2^+0.5986P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1026
_refine_ls_wR_factor_ref         0.1073
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4137
_reflns_number_total             4680
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja9b02973_si_003.cif
_cod_data_source_block           NV1729
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4128820
_shelx_shelxl_version_number     2017/1
_oxdiff_exptl_absorpt_empirical_full_min 0.717
_oxdiff_exptl_absorpt_empirical_full_max 1.312
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_shelx_res_checksum              91155
_shelx_hkl_checksum              99411