Information card for entry 2209457

Structure parameters

• Chemical name: Difluoro[1-(1-naphthyliminomethyl)-2-naphtholato-N,O]boron
• Formula: C21 H14 B F2 N O
• Calculated formula: C21 H14 B F2 N O
• SMILES: F[B]1(F)Oc2c(C=[N]1c1cccc3ccccc13)c1ccccc1cc2
• Title of publication: Difluoro[1-(1-naphthyliminomethyl)-2-naphtholato-<i>N</i>,<i>O</i>]boron
• Authors of publication: Xia, Min; Ge, Shao-Qin; Li, Xiang-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2625 - o2626
• a: 10.195 ± 0.002 Å
• b: 15.524 ± 0.003 Å
• c: 10.498 ± 0.002 Å
• α: 90°
• β: 92.28 ± 0.03°
• γ: 90°
• Cell volume: 1660.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes