Diastereodivergent synthesis of dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties.
Izmest'ev, Alexei N.; Gazieva, Galina A.; Karnoukhova, Valentina A.; Kravchenko, Angelina N.; Organic & biomolecular chemistry 18 (2020) 6905–6911; doi:10.1039/d0ob01628d

data_7157677
_publ_section_title
;
 Diastereodivergent synthesis of dispiroheterocyclic structures comprising
 pyrrolidinyloxindole and imidazothiazolotriazine moieties.
;
_journal_issue                   35
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              6905
_journal_page_last               6911
_journal_paper_doi               10.1039/d0ob01628d
_journal_volume                  18
_journal_year                    2020
_chemical_formula_moiety         'C27 H27 Br N8 O5 S'
_chemical_formula_sum            'C27 H27 Br N8 O5 S'
_chemical_formula_weight         655.53
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2020-01-31 deposited with the CCDC.	2020-08-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.705(3)
_cell_angle_gamma                90
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_cell_measurement_temperature    120(2)
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_cell_measurement_theta_min      3
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_diffrn_ambient_temperature      120(2)
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_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX DUO diffractometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.998
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_exptl_absorpt_correction_T_min  0.3175
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
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_exptl_crystal_description       prism
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         8165
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0679
_refine_ls_R_factor_gt           0.0482
_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^)+(0.0643P)^2^+3.6022P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1235
_refine_ls_wR_factor_ref         0.1344
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6265
_reflns_number_total             8165
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            d0ob01628d2.cif
_cod_data_source_block           goa42
_cod_depositor_comments
'Adding full bibliography for 7157677--7157680.cif.'
_cod_original_cell_volume        2802.3(7)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7157677
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.561
_shelx_estimated_absorpt_t_max   0.613
_shelx_res_checksum              9559
_shelx_hkl_checksum              21245