Synthesis of gem-difluorinated nitroso compounds.
Smirnov, Vladimir O.; Struchkova, Marina I.; Arkhipov, Dmitry E.; Korlyukov, Alexander A.; Dilman, Alexander D.; The Journal of organic chemistry 79 (2014) 11819–11823; doi:10.1021/jo5023537

data_4030222
_publ_section_title
;
 Synthesis of gem-difluorinated nitroso compounds.
;
_journal_issue                   23
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              11819
_journal_page_last               11823
_journal_paper_doi               10.1021/jo5023537
_journal_volume                  79
_journal_year                    2014
_chemical_formula_moiety         'C24 H19 F2 N O4'
_chemical_formula_sum            'C24 H19 F2 N O4'
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_cell_angle_gamma                82.9050(10)
_cell_formula_units_Z            2
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_cell_length_b                   10.4431(7)
_cell_length_c                   12.2360(8)
_cell_measurement_reflns_used    3486
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      29.79
_cell_measurement_theta_min      2.52
_cell_volume                     1009.37(12)
_computing_cell_refinement       'APEX2 (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'APEX2 (Bruker, 2005)'
_computing_molecular_graphics    'SHELXTL ver. 5.1 (Sheldrick, 1998)'
_computing_publication_material  'SHELXTL ver. 5.1 (Sheldrick, 1998)'
_computing_structure_refinement  'SHELXTL ver. 5.1 (Sheldrick, 1998)'
_computing_structure_solution    'SHELXTL ver. 5.1 (Sheldrick, 1998)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX II CCD area detector'
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_h_max       12
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_diffrn_reflns_limit_k_min       -14
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_diffrn_reflns_number            13079
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_diffrn_reflns_theta_max         30.07
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    0.107
_exptl_absorpt_correction_T_max  0.9810
_exptl_absorpt_correction_T_min  0.9717
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'APEX2 (Bruker, 2005)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.393
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
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_refine_ls_number_parameters     281
_refine_ls_number_reflns         5880
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0649
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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
'calc w=1/[\s^2^(Fo^2^)+(0.0419P)^2^+0.3057P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0969
_refine_ls_wR_factor_ref         0.1073
_reflns_number_gt                4451
_reflns_number_total             5880
_reflns_threshold_expression     I>2u(I)
_cod_data_source_file            jo5023537_si_003.cif
_cod_data_source_block           sv36
_cod_depositor_comments
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The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 4030221--4030222.cif.
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_cod_original_cell_volume        1009.38(12)
_cod_database_code               4030222