Correction to "chiral 1,2,3-triazoliums as new cationic organic catalysts with anion-recognition ability: application to asymmetric alkylation of oxindoles".
Ohmatsu, Kohsuke; Kiyokawa, Mari; Ooi, Takashi; Journal of the American Chemical Society 136 (2014) 11195–; doi:10.1021/ja506545z

data_4122327
_publ_section_title
;
 Correction to &quot;chiral 1,2,3-triazoliums as new cationic organic
 catalysts with anion-recognition ability: application to asymmetric
 alkylation of oxindoles&quot;.
;
_journal_issue                   31
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11195
_journal_paper_doi               10.1021/ja506545z
_journal_volume                  136
_journal_year                    2014
_chemical_absolute_configuration S
_chemical_formula_sum            'C46 H40 Cl10 N4 O'
_chemical_formula_weight         1019.32
_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'
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 92.245(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.281(3)
_cell_length_b                   13.661(3)
_cell_length_c                   14.407(3)
_cell_measurement_temperature    153(2)
_cell_volume                     2415.2(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0217
_diffrn_reflns_av_unetI/netI     0.0315
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            18038
_diffrn_reflns_point_group_measured_fraction_full 0.901
_diffrn_reflns_point_group_measured_fraction_max 0.869
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.284
_diffrn_reflns_theta_min         1.414
_exptl_absorpt_coefficient_mu    0.616
_exptl_absorpt_correction_T_max  0.9410
_exptl_absorpt_correction_T_min  0.7091
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    1.402
_exptl_crystal_F_000             1044
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.589
_refine_diff_density_min         -0.586
_refine_diff_density_rms         0.053
_refine_ls_abs_structure_details
;
 Flack x determined using 3917 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.050(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         10436
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0409
_refine_ls_R_factor_gt           0.0387
_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^)+(0.0523P)^2^+1.0605P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0993
_refine_ls_wR_factor_ref         0.1016
_reflns_Friedel_coverage         0.676
_reflns_Friedel_fraction_full    0.793
_reflns_Friedel_fraction_max     0.732
_reflns_number_gt                9931
_reflns_number_total             10436
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja506545z_si_002.cif
_cod_data_source_block           0X26MKi
_cod_depositor_comments          'Adding full bibliography for 4122327.cif.'
_cod_original_cell_volume        2415.3(9)
_cod_database_code               4122327
_shelx_estimated_absorpt_t_min   0.709
_shelx_estimated_absorpt_t_max   0.941
_shelxl_version_number           2013-3
_shelx_res_checksum              21935
_shelx_hkl_checksum              74373