Information card for entry 7048571

Structure parameters

• Formula: C50 H38 B2 N4 O6
• Calculated formula: C50 H38 B2 N4 O6
• Title of publication: Investigation of the Lewis acidic behaviour of an oxygen-bridged planarized triphenylborane toward amines and the properties of their Lewis acid-base adducts.
• Authors of publication: Kitamoto, Yuichi; Kobayashi, Fumiaki; Suzuki, Takatsugu; Miyata, Yasuo; Kita, Hiroshi; Funaki, Kenji; Oi, Shuichi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 2118 - 2127
• a: 14.9464 ± 0.0015 Å
• b: 14.1675 ± 0.0014 Å
• c: 19.4407 ± 0.0019 Å
• α: 90°
• β: 107.427 ± 0.001°
• γ: 90°
• Cell volume: 3927.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.06
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No