Silver-Catalyzed [3 + 3] Dipolar Cycloaddition of Trifluorodiazoethane and Glycine Imines: Access to Highly Functionalized Trifluoromethyl-Substituted Triazines and Pyridines
Chen, Zhen; Ren, Nan; Ma, Xiaoxiao; Nie, Jing; Zhang, Fa-Guang; Ma, Jun-An; ACS Catalysis 9 (2019) 4600–; doi:10.1021/acscatal.9b00846

data_4514687
_publ_section_title
;
 Silver-Catalyzed [3 + 3] Dipolar Cycloaddition of Trifluorodiazoethane
 and Glycine Imines: Access to Highly Functionalized
 Trifluoromethyl-Substituted Triazines and Pyridines
;
_journal_issue                   5
_journal_name_full               'ACS Catalysis'
_journal_page_first              4600
_journal_paper_doi               10.1021/acscatal.9b00846
_journal_volume                  9
_journal_year                    2019
_chemical_formula_sum            'C15 H11 Cl F3 N O2'
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_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
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_cell_length_b                   4.519(7)
_cell_length_c                   20.77(3)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      19.96
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_cell_volume                     1513(4)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.940
_diffrn_measurement_device_type  CCD
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.0853
_diffrn_reflns_Laue_measured_fraction_full 0.981
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_diffrn_reflns_point_group_measured_fraction_full 0.981
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.448
_exptl_crystal_description       block
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_refine_diff_density_min         -0.302
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1386P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2040
_refine_ls_wR_factor_ref         0.2682
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1165
_reflns_number_total             2811
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            cs9b00846_si_004.cif
_cod_data_source_block           1_a
_cod_original_cell_volume        1512(4)
_cod_database_code               4514687
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.939
_shelx_estimated_absorpt_t_max   0.950
_shelx_res_checksum              89168
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