Information card for entry 7118999

Structure parameters

• Formula: C18 H9 B O3
• Calculated formula: C18 H9 B O3
• SMILES: c12B3c4c5cccc4Oc4cccc(Oc1cccc2O5)c34
• Title of publication: The first synthesis and X-ray crystallographic analysis of an oxygen-bridged planarized triphenylborane
• Authors of publication: Yuichi Kitamoto; Takatsugu Suzuki; Yasuo Miyata; Hiroshi Kita; Kenji Funaki; Shuichi Oi
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 7098
• a: 17.055 ± 0.009 Å
• b: 10.409 ± 0.006 Å
• c: 7.301 ± 0.004 Å
• α: 90°
• β: 111.071 ± 0.01°
• γ: 90°
• Cell volume: 1209.4 ± 1.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No