Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.
Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei; The Journal of organic chemistry 81 (2016) 12091–12105; doi:10.1021/acs.joc.6b01907

data_4037276
_publ_section_title
;
 Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.
;
_journal_issue                   24
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              12091
_journal_page_last               12105
_journal_paper_doi               10.1021/acs.joc.6b01907
_journal_volume                  81
_journal_year                    2016
_chemical_formula_moiety         'C32 H28 N6 O2'
_chemical_formula_sum            'C32 H28 N6 O2'
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_space_group_crystal_system      triclinic
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_space_group_name_H-M_alt        'P -1'
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_cell_angle_beta                 71.783(3)
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_cell_length_b                   11.950(4)
_cell_length_c                   12.963(4)
_cell_measurement_reflns_used    6021
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      28.54
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_computing_cell_refinement       'Bruker SAINT'
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_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      103(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.917
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.917
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_diffrn_reflns_theta_max         29.136
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_exptl_absorpt_coefficient_mu    0.085
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_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
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_refine_ls_R_factor_all          0.0608
_refine_ls_R_factor_gt           0.0449
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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^)+(0.0636P)^2^+0.4589P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1220
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_reflns_number_gt                5325
_reflns_number_total             6469
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jo6b01907_si_001.cif
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_shelx_estimated_absorpt_t_min   0.986
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_shelx_res_checksum              43855
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