Divergent synthesis of oxindole derivatives via controllable reactions of isatin-derived para-quinone methides with sulfur ylides.
You, Yong; Quan, Bao-Xue; Wang, Zhen-Hua; Zhao, Jian-Qiang; Yuan, Wei-Cheng; Organic & biomolecular chemistry 18 (2020) 4560–4565; doi:10.1039/d0ob00979b

data_7157526
_publ_section_title
;
 Divergent synthesis of oxindole derivatives via controllable reactions of
 isatin-derived para-quinone methides with sulfur ylides.
;
_journal_issue                   24
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              4560
_journal_page_last               4565
_journal_paper_doi               10.1039/d0ob00979b
_journal_volume                  18
_journal_year                    2020
_chemical_formula_moiety         'C31 H33 N O3'
_chemical_formula_sum            'C31 H33 N O3'
_chemical_formula_weight         467.58
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_update_record
;
2020-04-29 deposited with the CCDC.	2020-05-28 downloaded from the CCDC.
;
_cell_angle_alpha                83.6440(10)
_cell_angle_beta                 83.3400(10)
_cell_angle_gamma                62.8550(10)
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_cell_length_a                   9.4791(2)
_cell_length_b                   9.7988(2)
_cell_length_c                   15.5180(4)
_cell_measurement_reflns_used    9927
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      72.2312
_cell_measurement_theta_min      2.8731
_cell_volume                     1271.23(5)
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_collection       'Bruker Instrument Service vV6.2.9'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 882)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100.(2)
_diffrn_detector_area_resol_mean 7.3910
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker D8 QUEST PHOTON II'
_diffrn_radiation_monochromator  'Helixos MX multilayer Optic'
_diffrn_radiation_type           'Cu K\a'
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_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            22434
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_diffrn_reflns_theta_max         72.33
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_diffrn_source                   'Ius Diamond'
_diffrn_source_type              Microfocus
_exptl_absorpt_coefficient_mu    0.613
_exptl_absorpt_correction_T_max  0.86
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_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_density_diffrn    1.222
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             500
_exptl_crystal_size_max          0.360
_exptl_crystal_size_mid          0.290
_exptl_crystal_size_min          0.260
_refine_diff_density_max         0.284
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         4956
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0403
_refine_ls_R_factor_gt           0.0389
_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^)+(0.0384P)^2^+0.5568P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0931
_refine_ls_wR_factor_ref         0.0940
_reflns_number_gt                4772
_reflns_number_total             4956
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ob00979b2.cif
_cod_data_source_block           yy1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7157525--7157526.cif.
;
_cod_database_code               7157526
_shelx_res_checksum              2615
_shelx_hkl_checksum              99614