1,6-Addition of 1,2,3-NH triazoles to <i>para</i>-quinone methides: Facile access to highly selective N<sup>1</sup> and N<sup>2</sup> substituted triazoles.
Rai, Vishakha; P, Kavyashree; Harmalkar, Sarvesh S.; Dhuri, Sundar N.; Maddani, Mahagundappa R.; Organic & biomolecular chemistry 20 (2022) 345–351; doi:10.1039/d1ob01717a

data_7158443
_publ_section_title
;
 1,6-Addition of 1,2,3-NH triazoles to <i>para</i>-quinone methides:
 Facile access to highly selective N<sup>1</sup> and N<sup>2</sup>
 substituted triazoles.
;
_journal_issue                   2
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              345
_journal_page_last               351
_journal_paper_doi               10.1039/d1ob01717a
_journal_volume                  20
_journal_year                    2022
_chemical_formula_sum            'C29 H32 N3 O'
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_audit_update_record
;
2021-08-16 deposited with the CCDC.	2021-11-24 downloaded from the CCDC.
;
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_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       '\f and \w scans'
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_exptl_crystal_description       block
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_refine_ls_extinction_coef       0.0089(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
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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^)+(0.0767P)^2^+0.5234P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1487
_refine_ls_wR_factor_ref         0.1957
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3196
_reflns_number_total             6494
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ob01717a2.cif
_cod_data_source_block           shelx_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7158442--7158443.cif.'
_cod_original_cell_volume        2608.6(6)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7158443
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              54802