Three-in-one: the novel packing and structures of three independent molecules of a tricyclic boron compound
Gainsford, Graeme J.; Al-Salim, Najeh; Acta Crystallographica Section C 62 (2006) o65–o67; doi:10.1107/S0108270105041089

data_2014380
_publ_section_title
;
 Three-in-one: the novel packing and structures of three independent
 molecules of a tricyclic boron compound
;
_journal_coeditor_code           SF1024
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_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              o65
_journal_page_last               o67
_journal_paper_doi               10.1107/S0108270105041089
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'C15 H36 B3 N3 O6'
_chemical_formula_moiety         'C15 H36 B3 N3 O6'
_chemical_formula_sum            'C15 H36 B3 N3 O6'
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_chemical_name_systematic
;
  ?
;
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_cell_length_c                   41.642(8)
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_cell_measurement_temperature    113(2)
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;
SAINT (Bruker, 2001) and SADABS (Sheldrick, 1996)
;
_computing_molecular_graphics
;
PLATON (Spek, 2003) and ORTEP-3 (Farrugia, 1997)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
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_diffrn_ambient_temperature      113(2)
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_diffrn_measured_fraction_theta_full 0.993
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_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
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_exptl_absorpt_process_details
;
(Blessing, 1995)
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_refine_ls_structure_factor_coef Fsqd
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'calc w=1/[\s^2^(Fo^2^)+(0.0516P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
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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.

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (8 times).

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.

'_geom_bond_publ_flag'
value 'Y' changed to 'y' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (8
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (6
times).

'_geom_torsion_publ_flag' value 'Y' changed to 'y' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (15
times).

'_geom_torsion_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (3 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2014380
_cod_database_fobs_code          2014380