Organocatalytic enone-azide [3 + 2]-cycloaddition: synthesis of functionally rich C/N-double vinyl 1,2,3-triazoles.
Surendra Reddy, G.; Suresh Kumar, A.; Ramachary, Dhevalapally B.; Organic & biomolecular chemistry 18 (2020) 4470–4478; doi:10.1039/d0ob00848f

data_7157520
_publ_section_title
;
 Organocatalytic enone-azide [3 + 2]-cycloaddition: synthesis of
 functionally rich C/N-double vinyl 1,2,3-triazoles.
;
_journal_issue                   23
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              4470
_journal_page_last               4478
_journal_paper_doi               10.1039/d0ob00848f
_journal_volume                  18
_journal_year                    2020
_chemical_formula_sum            'C19 H20 N4 O5'
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_audit_update_record
;
2020-03-25 deposited with the CCDC.	2020-05-27 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
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_exptl_crystal_colour            Colourless
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1019P)^2^+1.8533P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1965
_refine_ls_wR_factor_ref         0.2081
_reflns_number_gt                2699
_reflns_number_total             3345
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d0ob00848f4.cif
_cod_data_source_block           gsr125
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'None' was changed
to 'none' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7157520--7157522.cif.

 Adding full bibliography for 7157520--7157522.cif.

2025-01-30
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_cell_volume        1905.5(6)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_original_formula_sum        'C4.75 H5 N O1.25'
_cod_original_formula_units_Z    16
_cod_original_formula_weight     96.10
_cod_database_code               7157520