Nickel-Catalyzed Reductive Cycloisomerization of Enynes with CO<sub>2</sub>.
Diccianni, Justin B.; Heitmann, Tyler; Diao, Tianning; The Journal of organic chemistry 82 (2017) 6895–6903; doi:10.1021/acs.joc.7b01034

data_4037502
_publ_section_title
;
 Nickel-Catalyzed Reductive Cycloisomerization of Enynes with
 CO<sub>2</sub>.
;
_journal_issue                   13
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              6895
_journal_page_last               6903
_journal_paper_doi               10.1021/acs.joc.7b01034
_journal_volume                  82
_journal_year                    2017
_chemical_formula_sum            'C16 H21 N O4 S'
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_atom_sites_solution_hydrogens   mixed
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_cell_length_c                   22.666(2)
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_computing_structure_solution    'SHELXT (Sheldrick 2014)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_h_max       17
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_exptl_absorpt_coefficient_mu    0.220
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6921
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.346
_exptl_crystal_description       needle
_exptl_crystal_F_000             688
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0703P)^2^+0.5607P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1200
_refine_ls_wR_factor_ref         0.1273
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3292
_reflns_number_total             3964
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jo7b01034_si_002.cif
_cod_data_source_block           16tnd22h
_cod_original_cell_volume        1595.6(3)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4037502
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.887
_shelx_estimated_absorpt_t_max   0.985
_shelx_res_checksum              59439
_shelx_hkl_checksum              63807