From Triazoles to Imidazolines through the Sequential N-H Insertion of α-Imino Rhodium-Carbenes into β-Enamino Esters/Enamine-Imine Tautomerization/Conjugate Addition Cascade.
Jeon, Hyun Ji; Jung, Da Jung; Kim, Ju Hyun; Kim, Youngmee; Bouffard, Jean; Lee, Sang-Gi; The Journal of organic chemistry 79 (2014) 9865–9871; doi:10.1021/jo501785d

data_4030002
_publ_section_title
;
 From Triazoles to Imidazolines through the Sequential N-H Insertion of
 \a-Imino Rhodium-Carbenes into \b-Enamino Esters/Enamine-Imine
 Tautomerization/Conjugate Addition Cascade.
;
_journal_issue                   20
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              9865
_journal_page_last               9871
_journal_paper_doi               10.1021/jo501785d
_journal_volume                  79
_journal_year                    2014
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; 
 ? 
;
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_cell_angle_beta                 92.91(3)
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_cell_length_a                   13.884(3)
_cell_length_b                   14.040(3)
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_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
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_exptl_absorpt_coefficient_mu    0.173
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_exptl_absorpt_process_details   '(SADABS; Bruker, 1997)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.303
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0533P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                3636
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_cod_data_source_file            jo501785d_si_002.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/home/saulius/struct/COD-crude-data--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 2827 2014-09-09 07:05:25Z andrius 

 Adding full bibliography for 4030002--4030003.cif.

2025-10-08
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C52 H47 N4 O8 S2'
_cod_original_formula_weight         920.06
_cod_original_formula_units_Z            2
_cod_original_cell_volume        2345.6(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4030002