Information card for entry 2238305

Structure parameters

• Chemical name: 10-{4-[(2-Hydroxybenzylidene)amino]phenyl}-5,5-difluoro-1,3,7,9-tetramethyl-5<i>H</i>-dipyrrolo[1,2-<i>c</i>:2',1'-<i>f</i>][1,3,2]diazaborinin-4-ium-5-uide
• Formula: C26 H24 B F2 N3 O
• Calculated formula: C26 H24 B F2 N3 O
• SMILES: F[B]1(F)[n]2c(cc(c2=C(c2n1c(cc2C)C)c1ccc(/N=C/c2c(O)cccc2)cc1)C)C
• Title of publication: 10-{4-[(2-Hydroxybenzylidene)amino]phenyl}-5,5-difluoro-1,3,7,9-tetramethyl-5<i>H</i>-dipyrrolo[1,2-<i>c</i>:2',1'-<i>f</i>][1,3,2]diazaborinin-4-ium-5-uide
• Authors of publication: Li, Zhensheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1072
• a: 8.892 ± 0.0015 Å
• b: 10.748 ± 0.0017 Å
• c: 12.923 ± 0.0018 Å
• α: 110.258 ± 0.009°
• β: 90.952 ± 0.006°
• γ: 108.408 ± 0.007°
• Cell volume: 1088.3 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.2093
• Weighted residual factors for all reflections included in the refinement: 0.2173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes