Information card for entry 2009177

Structure parameters

• Chemical name: (Napthalene-2,3-diolato)(1,3-diphenylpropen-1,3-diolato)boron
• Formula: C25 H17 B O4
• Calculated formula: C25 H17 B O4
• SMILES: O(C(=C\C(=O)c1ccccc1)/c1ccccc1)B1Oc2cc3ccccc3cc2O1
• Title of publication: (1,3-Diphenylpropene-1,3-diolato)(naphthalene-2,3-diolato)boron
• Authors of publication: Lim, Hock Chuan; Tou, Teck Yong; Ng, Seik Weng; Huang, You-Qing; Hu, Sheng-Zhi; Rapta, Peter; Chow, Yuan L.; Ishiyama, Jun-Ichi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: IUC9900135
• a: 7.108 ± 0.001 Å
• b: 25.795 ± 0.001 Å
• c: 10.69 ± 0.001 Å
• α: 90°
• β: 94.88 ± 0.01°
• γ: 90°
• Cell volume: 1952.9 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No