Proline-Catalyzed Sequential syn-Mannich and [4 + 1]-Annulation Cascade Reactions To Form Densely Functionalized Pyrrolidines.
Aher, Ravindra D.; Kumar, B. Senthil; Sudalai, Arumugam; The Journal of organic chemistry 80 (2015) 2024–2031; doi:10.1021/jo5028886

data_4030594
_publ_section_title
;
 Proline-Catalyzed Sequential syn-Mannich and [4 + 1]-Annulation Cascade
 Reactions To Form Densely Functionalized Pyrrolidines.
;
_journal_issue                   3
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              2024
_journal_page_last               2031
_journal_paper_doi               10.1021/jo5028886
_journal_volume                  80
_journal_year                    2015
_chemical_formula_moiety         'C34 H42 N2 O8 S'
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_cell_length_b                   12.0852(16)
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_exptl_absorpt_coefficient_mu    0.145
_exptl_absorpt_correction_T_max  0.9842
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            COLOURLESS
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0317P)^2^+2.2027P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1652
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_reflns_number_gt                4911
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo5028886_si_001.cif
_cod_data_source_block           abc
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/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 3008 2015-01-20 13:52:24Z robertas 

 Adding full bibliography for 4030594.cif.
;
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               4030594