Catalytic asymmetric synthesis of diazabicyclo[3.1.0]hexanes by 1,3-dipolar cycloaddition of azomethine ylides with azirines.
Molina, Alba; Díaz-Tendero, Sergio; Adrio, Javier; Carretero, Juan C.; Chemical communications (Cambridge, England) 56 (2020) 5050–5053; doi:10.1039/d0cc01061h

data_7126329
_publ_section_title
;
 Catalytic asymmetric synthesis of diazabicyclo[3.1.0]hexanes by
 1,3-dipolar cycloaddition of azomethine ylides with azirines.
;
_journal_issue                   37
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              5050
_journal_page_last               5053
_journal_paper_doi               10.1039/d0cc01061h
_journal_volume                  56
_journal_year                    2020
_chemical_formula_sum            'C21 H24 N2 O2 S'
_chemical_formula_weight         368.48
_chemical_name_common            amc873.1_150K
_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   mixed
_audit_update_record
;
2019-06-18 deposited with the CCDC.	2020-03-24 downloaded from the CCDC.
;
_cell_angle_alpha                97.514(3)
_cell_angle_beta                 97.294(3)
_cell_angle_gamma                93.446(3)
_cell_formula_units_Z            2
_cell_length_a                   6.9644(3)
_cell_length_b                   11.4537(5)
_cell_length_c                   11.8747(5)
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_cell_measurement_temperature    150.(2)
_cell_measurement_theta_max      24.5738
_cell_measurement_theta_min      2.6768
_cell_volume                     928.65(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
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_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      150.(2)
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_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Kappa Apex II'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
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_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_density_diffrn    1.318
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
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_exptl_crystal_size_mid          0.069
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_refine_diff_density_min         -0.298
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         3414
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.135
_refine_ls_R_factor_all          0.0590
_refine_ls_R_factor_gt           0.0374
_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^)+(0.0581P)^2^+0.3154P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0929
_refine_ls_wR_factor_ref         0.1188
_reflns_number_gt                2621
_reflns_number_total             3414
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc01061h2.cif
_cod_data_source_block           02526AlbaMolina
_cod_depositor_comments
'Adding full bibliography for 7126329--7126330.cif.'
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