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_2022411
_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          'C29 H34 N2 O4'
_chemical_formula_moiety         'C29 H34 N2 O4'
_chemical_formula_sum            'C29 H34 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-1-hexyl-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      monoclinic
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_space_group_name_Hall           '-P 2yn'
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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)
;
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;
SHELXL2014 (Sheldrick, 2015b)
;
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;
SHELXT2014 (Sheldrick, 2015a)
;
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_diffrn_measured_fraction_theta_max 0.999
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_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_theta_min         2.182
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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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_refine_ls_number_reflns         5765
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
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_refine_ls_R_factor_gt           0.0428
_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^)+(0.0368P)^2^+0.9168P] where P=(Fo^2^+2Fc^2^)/3'
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_shelx_estimated_absorpt_t_max   0.990
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