Nickel-catalyzed regio- and diastereoselective hydroarylative and hydroalkenylative cyclization of 1,6-dienes.
Xu, Zhengshuai; Tang, Yitian; Shen, Chaoren; Zhang, Hongru; Gan, Yuxin; Ji, Xiaolei; Tian, Xinxin; Dong, Kaiwu; Chemical communications (Cambridge, England) 56 (2020) 7741–7744; doi:10.1039/c9cc09450d

data_1558152
_publ_section_title
;
 Nickel-catalyzed regio- and diastereoselective hydroarylative and
 hydroalkenylative cyclization of 1,6-dienes.
;
_journal_issue                   56
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              7741
_journal_page_last               7744
_journal_paper_doi               10.1039/c9cc09450d
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C31 H34 O4'
_chemical_formula_sum            'C31 H34 O4'
_chemical_formula_weight         470.58
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2019-05-27 deposited with the CCDC.	2020-05-29 downloaded from the CCDC.
;
_cell_angle_alpha                86.518(3)
_cell_angle_beta                 74.563(3)
_cell_angle_gamma                78.674(3)
_cell_formula_units_Z            2
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_cell_length_c                   14.7116(12)
_cell_measurement_reflns_used    6547
_cell_measurement_temperature    193(2)
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_cell_measurement_theta_min      4.506
_cell_volume                     1321.25(19)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0473
_diffrn_reflns_av_unetI/netI     0.0538
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
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_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12706
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
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_diffrn_reflns_theta_max         25.498
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_exptl_absorpt_coefficient_mu    0.077
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5313
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.183
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             504
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.130
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_refine_ls_extinction_coef       0.059(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         4894
_refine_ls_number_restraints     80
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0915
_refine_ls_R_factor_gt           0.0741
_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^)+(0.0700P)^2^+0.9784P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1818
_refine_ls_wR_factor_ref         0.1973
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3814
_reflns_number_total             4894
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9cc09450d2.cif
_cod_data_source_block           mo_d8v19464_0m
_cod_depositor_comments          'Adding full bibliography for 1558152.cif.'
_cod_database_code               1558152
_shelx_estimated_absorpt_t_min   0.887
_shelx_estimated_absorpt_t_max   0.990
_shelxl_version_number           2013-4
_shelx_res_checksum              52304