PCy<sub>3</sub>-assisted Ag(I)-catalyzed click reaction for regioselective synthesis of 1,4-disubstituted 1,2,3-triazoles at room temperature.
Hazarika, Roktopol; Dutta, Sanghamitra; Sarmah, Samprity; Hazarika, Priyanuj Krishnann; Singh, Kuldeep; Kumar, Arvind; Sarma, Bipul; Sarma, Diganta; Organic & biomolecular chemistry 22 (2024) 694–698; doi:10.1039/d3ob01738a

data_7159743
_publ_section_title
;
 PCy<sub>3</sub>-assisted Ag(I)-catalyzed click reaction for
 regioselective synthesis of 1,4-disubstituted 1,2,3-triazoles at room
 temperature.
;
_journal_issue                   4
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              694
_journal_page_last               698
_journal_paper_doi               10.1039/d3ob01738a
_journal_volume                  22
_journal_year                    2024
_chemical_formula_sum            'C36 H55 Ag N O3 P2'
_chemical_formula_weight         719.62
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2023-04-06 deposited with the CCDC.	2023-11-29 downloaded from the CCDC.
;
_cell_angle_alpha                94.658(6)
_cell_angle_beta                 96.469(6)
_cell_angle_gamma                116.368(6)
_cell_formula_units_Z            2
_cell_length_a                   9.262(2)
_cell_length_b                   9.837(2)
_cell_length_c                   23.332(5)
_cell_measurement_reflns_used    7014
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.06
_cell_measurement_theta_min      2.34
_cell_volume                     1871.8(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0946
_diffrn_reflns_av_unetI/netI     0.0480
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            71962
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.998
_diffrn_reflns_theta_min         0.888
_exptl_absorpt_coefficient_mu    0.657
_exptl_absorpt_correction_T_max  0.870
_exptl_absorpt_correction_T_min  0.820
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.277
_exptl_crystal_description       block
_exptl_crystal_F_000             758
_exptl_crystal_size_max          0.340
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.210
_refine_diff_density_max         0.862
_refine_diff_density_min         -0.666
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         7362
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0705
_refine_ls_R_factor_gt           0.0511
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0677P)^2^+1.7530P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1284
_refine_ls_wR_factor_ref         0.1406
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5751
_reflns_number_total             7362
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3ob01738a2.cif
_cod_data_source_block           BS_RN_Ag_1_0m_a
_cod_depositor_comments
'Adding full bibliography for 7159742--7159743.cif.'
_cod_database_code               7159743
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.808
_shelx_estimated_absorpt_t_max   0.874
_exptl_absorpt_special_details   SADABS
_shelx_res_checksum              59698