Synthesis and spectroscopic and structural characterization of spiro[indoline-3,3′-indolizine]s formed by 1,3-dipolar cycloadditions between isatins, pipecolic acid and an electron-deficient alkene
Romo, Pablo E.; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher; Acta Crystallographica Section C Structural Chemistry 77 (2021) –; doi:10.1107/S2053229621007142

data_2022408
_publ_section_title
;
 Synthesis and spectroscopic and structural characterization of
 spiro[indoline-3,3&#x2032;-indolizine]s formed by 1,3-dipolar
 cycloadditions between isatins, pipecolic acid and an electron-deficient
 alkene
;
_journal_coeditor_code           KY3207
_journal_issue                   9
_journal_name_full
'Acta Crystallographica Section C Structural Chemistry'
_journal_paper_doi               10.1107/S2053229621007142
_journal_volume                  77
_journal_year                    2021
_chemical_formula_iupac          'C24 H24 N2 O4'
_chemical_formula_moiety         'C24 H24 N2 O4'
_chemical_formula_sum            'C24 H24 N2 O4'
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_chemical_name_systematic
'(1'<i>SR</i>,2'<i>SR</i>,3<i>RS</i>,8a'<i>RS</i>)-2'-Benzoyl-5-methyl-2-oxo-1',5',6',7',8',8a'-hexahydro-2'<i>H</i>-spiro[indoline-3,3'-indolizine]-1'-carboxylic acid'
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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_computing_cell_refinement
;
SAINT (Bruker, 2017)
;
_computing_data_collection
;
APEX3 (Bruker, 2018)
;
_computing_data_reduction
;
SAINT (Bruker, 2017)
;
_computing_molecular_graphics
;
PLATON (Spek, 2020)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015b) and PLATON (Spek, 2020)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015b)
;
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;
SHELXT2014 (Sheldrick, 2015a)
;
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_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'multilayer mirror'
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_diffrn_reflns_limit_h_max       10
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_diffrn_reflns_theta_min         2.739
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'INCOATEC high brilliance microfocus sealed tube'
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_exptl_absorpt_process_details
;
(SADABS; Bruker, 2016)
;
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_exptl_crystal_size_mid          0.120
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_refine_diff_density_min         -0.215
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         4490
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0530
_refine_ls_R_factor_gt           0.0396
_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^)+(0.0397P)^2^+0.5075P] where P=(Fo^2^+2Fc^2^)/3'
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_shelx_estimated_absorpt_t_min   0.985
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