Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.
Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo; Organic & biomolecular chemistry 18 (2019) 163–168; doi:10.1039/c9ob02013f

data_7157235
_publ_section_title
;
 Diastereoselective construction of carbazole-based spirooxindoles via the
 Levy three-component reaction.
;
_journal_issue                   1
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              163
_journal_page_last               168
_journal_paper_doi               10.1039/c9ob02013f
_journal_volume                  18
_journal_year                    2019
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C44 H37 F N2 O4'
_chemical_formula_sum            'C44 H37 F N2 O4'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-07-24 deposited with the CCDC.	2019-12-02 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_av_unetI/netI     0.0557
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_exptl_crystal_colour            yellow
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_exptl_crystal_description       block
_exptl_crystal_F_000             2848
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.200
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_refine_diff_density_min         -0.617
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_refine_ls_abs_structure_details
;
 Flack x determined using 3175 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         13708
_refine_ls_number_restraints     131
_refine_ls_restrained_S_all      1.167
_refine_ls_R_factor_all          0.1140
_refine_ls_R_factor_gt           0.0691
_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^)+(0.0983P)^2^+1.0677P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1726
_refine_ls_wR_factor_ref         0.1940
_reflns_Friedel_coverage         0.818
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                9052
_reflns_number_total             13708
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9ob02013f2.cif
_cod_data_source_block           1e
_cod_depositor_comments
'Adding full bibliography for 7157234--7157247.cif.'
_cod_original_cell_volume        6999.8(9)
_cod_database_code               7157235
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.980
_shelx_estimated_absorpt_t_max   0.983
_shelx_res_checksum              6144