Boron Complex of a Member of the Quinolone Family
Turel, Iztok; Leban, Ivan; Bukovec, Peter; Barbo, Martin; Acta Crystallographica Section C 53 (1997) 942–943; doi:10.1107/S0108270197003491

data_2006264
_publ_section_title
;
 Boron Complex of a Member of the Quinolone Family
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              942
_journal_page_last               943
_journal_paper_doi               10.1107/S0108270197003491
_journal_volume                  53
_journal_year                    1997
_chemical_formula_moiety         'C17 H14 B Cl F N O7'
_chemical_formula_sum            'C17 H14 B Cl F N O7'
_chemical_formula_weight         409.55
_chemical_name_systematic
;
Anhydride of diacetoxyboric and 1-cyclopropyl-6-fluoro-7-chloro-4-oxo-1,4-
dihydroquinoline-3-carboxylic acid
;
_space_group_IT_number           61
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_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
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_cell_length_a                   8.754(2)
_cell_length_b                   15.055(3)
_cell_length_c                   26.742(5)
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_computing_cell_refinement       'local program'
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_computing_molecular_graphics
;
NRCVAX (Gabe, Le Page, Charland, Lee & White, 1989), ORTEPII (Johnson, 1971)
and PLUTON (Spek, 1991)
;
_computing_publication_material  SHELXL93
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Modified Stoe'
_diffrn_measurement_method       'fixed 1.2\% \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_standards_decay_%        2.2
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_exptl_crystal_colour            colourless
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_exptl_crystal_density_meas      1.53(5)
_exptl_crystal_density_method    'flotation in chlorobenzene/CCl~4~'
_exptl_crystal_description       plate
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_refine_ls_shift/esd_mean        0.009
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'w = 1/[\s^2^(Fo^2^)+(0.0479P)^2^+2.7713P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w =
1/[\s^2^(Fo^2^)+(0.0479P)^2^+2.7713P] where P = (Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/[\s^2^(Fo^2^)+(0.0479P)^2^+2.7713P] where P = (Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3524.4(12)
_cod_database_code               2006264