Expedient iron-catalyzed stereospecific synthesis of triazines via cycloaddition of aziridines with diaziridines.
Sarkar, Tanumay; Talukdar, Kangkan; Roy, Subhasish; Punniyamurthy, Tharmalingam; Chemical communications (Cambridge, England) 56 (2020) 3381–3384; doi:10.1039/c9cc10089j

data_7126014
_publ_section_title
;
 Expedient iron-catalyzed stereospecific synthesis of triazines via
 cycloaddition of aziridines with diaziridines.
;
_journal_issue                   23
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              3381
_journal_page_last               3384
_journal_paper_doi               10.1039/c9cc10089j
_journal_volume                  56
_journal_year                    2020
_chemical_formula_sum            'C22 H29 N3'
_chemical_formula_weight         335.48
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_space_group_name_Hall           '-P 2yn'
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_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-12-16 deposited with the CCDC.	2020-02-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.513(4)
_cell_angle_gamma                90
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_cell_measurement_theta_max      26.8500
_cell_measurement_theta_min      3.1030
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
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_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_number            7231
_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_max         25.049
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_exptl_absorpt_coefficient_mu    0.067
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         3450
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0846
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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^)+(0.0863P)^2^+0.2869P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2277
_reflns_number_total             3450
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9cc10089j2.cif
_cod_data_source_block           exp_6222
_cod_depositor_comments
'Adding full bibliography for 7126014--7126015.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7126014
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              44676