Regioselective Opening of Nitroepoxides with Unsymmetrical Diamines.
Nosood, Yazdanbakhsh L.; Ziyaei Halimehjani, Azim; González, Florenci V; The Journal of organic chemistry 83 (2018) 1252–1258; doi:10.1021/acs.joc.7b02795

data_4033386
_publ_section_title
;
 Regioselective Opening of Nitroepoxides with Unsymmetrical Diamines.
;
_journal_issue                   3
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              1252
_journal_page_last               1258
_journal_paper_doi               10.1021/acs.joc.7b02795
_journal_volume                  83
_journal_year                    2018
_chemical_formula_sum            'C16 H13 N3 O2'
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_cell_length_b                   9.7385(3)
_cell_length_c                   10.0265(3)
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_computing_cell_refinement       'CrysAlisPro 1.171.38.41r (Rigaku OD, 2015)'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.4051
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_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           CuK\a
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_diffrn_reflns_theta_max         67.05
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_exptl_absorpt_correction_T_max  0.935
_exptl_absorpt_correction_T_min  0.578
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_exptl_crystal_density_meas      ?
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_exptl_crystal_description       plateled
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0753P)^2^+0.1193P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1256
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_cod_data_source_file            jo7b02795_si_002.cif
_cod_data_source_block           str2008_compound_2f
_cod_depositor_comments
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The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 4033385--4033387.cif.
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_cod_original_cell_volume        693.36(3)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4033386