Correction to "Nickel-Catalyzed Asymmetric Reductive Cross-Coupling To Access 1,1-Diarylalkanes".
Poremba, Kelsey E.; Kadunce, Nathaniel T.; Suzuki, Naoyuki; Cherney, Alan H.; Reisman, Sarah E.; Journal of the American Chemical Society 140 (2018) 7746–; doi:10.1021/jacs.8b05247

data_4132632
_publ_section_title
;
 Correction to &quot;Nickel-Catalyzed Asymmetric Reductive Cross-Coupling
 To Access 1,1-Diarylalkanes&quot;.
;
_journal_issue                   24
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7746
_journal_paper_doi               10.1021/jacs.8b05247
_journal_volume                  140
_journal_year                    2018
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C20 H36 N2 O2'
_chemical_formula_sum            'C20 H36 N2 O2'
_chemical_formula_weight         336.51
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2018-01-08
_audit_creation_method
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_cell_angle_alpha                90
_cell_angle_beta                 108.140(3)
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   17.2695(12)
_cell_length_b                   8.4949(6)
_cell_length_c                   21.7390(15)
_cell_measurement_reflns_used    9794
_cell_measurement_temperature    100
_cell_measurement_theta_max      80.22
_cell_measurement_theta_min      2.69
_cell_volume                     3030.7(4)
_computing_cell_refinement       'SAINT v8.34A (Bruker-AXS, 2007)'
_computing_data_collection       'APEX2 v2014.11-0 (Bruker-AXS, 2014)'
_computing_data_reduction        'SAINT v8.34A (Bruker-AXS, 2007)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2013/1 (She ldrick, 2013)'
_diffrn_ambient_temperature      100
_diffrn_detector                 'CPAD Area Detector'
_diffrn_detector_area_resol_mean 7.69
_diffrn_detector_type            'Bruker PHOTON II'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'multilayer mirrors'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0468
_diffrn_reflns_av_unetI/netI     0.0235
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            97605
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.957
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         80.579
_diffrn_reflns_theta_min         2.692
_diffrn_source                   'I\mS HB micro-focus sealed tube'
_diffrn_source_current           1
_diffrn_source_power             0.05
_diffrn_source_type              'Incoatech I\mS HB'
_diffrn_source_voltage           50
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.549
_exptl_absorpt_correction_T_max  0.7543
_exptl_absorpt_correction_T_min  0.6514
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2014/5 (Sheldrick, 2014)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.106
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1116
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.377
_refine_diff_density_min         -0.163
_refine_diff_density_rms         0.043
_refine_ls_abs_structure_details
;
 Flack x determined using 5316 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.03(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     661
_refine_ls_number_reflns         12703
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0387
_refine_ls_R_factor_gt           0.0363
_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^)+(0.0656P)^2^+0.2920P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0969
_refine_ls_wR_factor_ref         0.0991
_reflns_Friedel_coverage         0.818
_reflns_Friedel_fraction_full    0.980
_reflns_Friedel_fraction_max     0.926
_reflns_number_gt                12194
_reflns_number_total             12703
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja8b05247_si_003.cif
_cod_data_source_block           v18008_jlh_a
_cod_database_code               4132632
_shelx_estimated_absorpt_t_max   0.978
_shelx_estimated_absorpt_t_min   0.889
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C3B(H3B), C1A(H1A), C3A(H3A), C3C(H3C), C1C(H1C), C1B(H1B), C14C(H14C),
 C14A(H14A), C14B(H14B), C12B(H12B), C12A(H12A), C12C(H12C)
2.b Secondary CH2 refined with riding coordinates:
 C18A(H18A,H18B), C18C(H18E,H18F), C2A(H2AA,H2AB), C15C(H15E,H15F), C4A(H4AA,
 H4AB), C7A(H7AA,H7AB), C4C(H4CA,H4CB), C4B(H4BA,H4BB), C2B(H2BA,H2BB),
 C2C(H2CA,H2CB), C15A(H15A,H15B), C13B(H13C,H13D), C7C(H7CA,H7CB), C5A(H5AA,
 H5AB), C5B(H5BA,H5BB), C7B(H7BA,H7BB), C19A(H19A,H19B), C8C(H8CA,H8CB),
 C18B(H18C,H18D), C8A(H8AA,H8AB), C15B(H15C,H15D), C5C(H5CA,H5CB), C8B(H8BA,
 H8BB), C13A(H13A,H13B), C13C(H13E,H13F), C19B(H19C,H19D), C16B(H16C,H16D),
 C19C(H19E,H19F), C16C(H16E,H16F), C16A(H16A,H16B)
2.c Idealised Me refined as rotating group:
 C20C(H20G,H20H,H20I), C9C(H9CA,H9CB,H9CC), C20B(H20D,H20E,H20F), C9A(H9AA,
 H9AB,H9AC), C17B(H17D,H17E,H17F), C20A(H20A,H20B,H20C), C9B(H9BA,H9BB,H9BC),
 C6B(H6BA,H6BB,H6BC), C6C(H6CA,H6CB,H6CC), C6A(H6AA,H6AB,H6AC), C17A(H17A,H17B,
 H17C), C17C(H17G,H17H,H17I)
;
_shelx_res_checksum              38516
_shelx_hkl_checksum              76974
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'