The catalytic asymmetric synthesis of CF<sub>3</sub>-containing spiro-oxindole-pyrrolidine-pyrazolone compounds through squaramide-catalyzed 1,3-dipolar cycloaddition.
Wang, Cui; Wen, Dongwa; Chen, Hui; Deng, Yabo; Liu, Xueting; Liu, Xin; Wang, Li; Gao, Fengyun; Guo, Yifei; Sun, Mengmeng; Wang, Kairong; Yan, Wenjin; Organic & biomolecular chemistry 17 (2019) 5514–5519; doi:10.1039/c9ob00720b

data_7156839
_publ_section_title
;
 The catalytic asymmetric synthesis of CF<sub>3</sub>-containing
 spiro-oxindole-pyrrolidine-pyrazolone compounds through
 squaramide-catalyzed 1,3-dipolar cycloaddition.
;
_journal_issue                   22
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              5514
_journal_page_last               5519
_journal_paper_doi               10.1039/c9ob00720b
_journal_volume                  17
_journal_year                    2019
_chemical_formula_sum            'C33 H23 Cl F3 N4 O2'
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_audit_update_record
;
2018-12-26 deposited with the CCDC.    2019-05-09 downloaded from the CCDC.
;
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_computing_cell_refinement       'Bruker SMART'
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_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 'fine-focus sealed tube'
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_diffrn_measurement_device_type  'Bruker APEX II area detector'
_diffrn_measurement_method       '\w scan'
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_exptl_absorpt_process_details   SADABS
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_exptl_crystal_description       block
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_platon_squeeze_details
;
;
_refine_diff_density_max         0.669
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_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0533
_refine_ls_R_factor_gt           0.0474
_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^)+(0.1000P)^2^+0.3899P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1395
_refine_ls_wR_factor_ref         0.1455
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4717
_reflns_number_total             5387
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9ob00720b2.cif
_cod_data_source_block           20180308_WANGCui_C32HO2N4F3Cl__a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7156837--7156839.cif.
;
_cod_original_cell_volume        1531.34(13)
_cod_database_code               7156839
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.650
_shelx_estimated_absorpt_t_max   0.744
_shelx_res_checksum              79295
_shelx_hkl_checksum              81955