Copper- and Silver-Catalyzed Diastereo- and Enantioselective Conjugate Addition Reaction of 1-Pyrroline Esters to Nitroalkenes: Diastereoselectivity Switch by Chiral Metal Complexes.
Koizumi, Akihiro; Kimura, Midori; Arai, Yuri; Tokoro, Yuichiro; Fukuzawa, Shin-ichi; The Journal of organic chemistry 80 (2015) 10883–10891; doi:10.1021/acs.joc.5b02024

data_4036450
_publ_section_title
;
 Copper- and Silver-Catalyzed Diastereo- and Enantioselective Conjugate
 Addition Reaction of 1-Pyrroline Esters to Nitroalkenes:
 Diastereoselectivity Switch by Chiral Metal Complexes.
;
_journal_issue                   21
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              10883
_journal_page_last               10891
_journal_paper_doi               10.1021/acs.joc.5b02024
_journal_volume                  80
_journal_year                    2015
_chemical_absolute_configuration ad
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_chemical_formula_sum            'C24 H24 Fe N2 O4'
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_cell_angle_gamma                90
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_cell_length_a                   5.962(2)
_cell_length_b                   15.826(6)
_cell_length_c                   22.366(9)
_cell_measurement_reflns_used    6465
_cell_measurement_temperature    93(2)
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_computing_cell_refinement       'RIGAKU CrystalClear'
_computing_data_collection       'RIGAKU CrystalClear'
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_computing_molecular_graphics    'Yadokari-XG 2009(Wakita Nemoto et al.)'
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_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    SIR-97
_diffrn_ambient_temperature      93(2)
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_diffrn_measurement_device_type  'Rigaku VariMax Saturn'
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_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
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_refine_ls_abs_structure_details
;
 Flack x determined using 950 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.023(15)
_refine_ls_extinction_method     none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1132
_refine_ls_wR_factor_ref         0.1263
_reflns_Friedel_coverage         0.725
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                3209
_reflns_number_total             4153
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jo5b02024_si_002.cif
_cod_data_source_block           0604
_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/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/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 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        2110.2(14)
_cod_database_code               4036450
_shelx_estimated_absorpt_t_min   0.725
_shelx_estimated_absorpt_t_max   0.985
_shelxl_version_number           2014-3
_shelx_res_checksum              94866
_shelx_hkl_checksum              88484