A Three-Component Reaction for the Synthesis of 1-Azabicyclo[3.1.0]hexane-3-enes.
Ghorbani, Mahdi; Mohammadi, Bagher; Saraii, Mahnaz; Masoumi, Bakhshali; Abbasian, Mojtaba; Ramazani, Ali; Slepokura, Katarzyna; Lis, Tadeusz; Organic letters 18 (2016) 4759–4761; doi:10.1021/acs.orglett.6b02180

data_1555716
_publ_section_title
;
 A Three-Component Reaction for the Synthesis of
 1-Azabicyclo[3.1.0]hexane-3-enes.
;
_journal_issue                   19
_journal_name_full               'Organic letters'
_journal_page_first              4759
_journal_page_last               4761
_journal_paper_doi               10.1021/acs.orglett.6b02180
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C19 H12 Br2 N4'
_chemical_formula_sum            'C19 H12 Br2 N4'
_chemical_formula_weight         456.15
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2015)'
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_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.875
_diffrn_measurement_device_type  'Xcalibur, Ruby'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0260
_diffrn_reflns_av_unetI/netI     0.0449
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_diffrn_reflns_limit_l_min       -16
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
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Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            orange
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_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.483
_refine_diff_density_min         -0.713
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_refine_ls_number_reflns         4479
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0414
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_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0261P)^2^+0.3478P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0651
_refine_ls_wR_factor_ref         0.0689
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3757
_reflns_number_total             4479
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           ramazbrab
_cod_original_cell_volume        1658.1(8)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1555716
_shelx_shelxl_version_number     2014/7
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