Information card for entry 2006176

Structure parameters

• Chemical name: benzyltrimethylammonium tetramethoxyborate
• Formula: C14 H28 B N O4
• Calculated formula: C14 H28 B N O4
• SMILES: [B-](OC)(OC)(OC)OC.[N+](C)(C)(C)Cc1ccccc1
• Title of publication: Benzyltrimethylammonium Tetramethoxoborate
• Authors of publication: Clegg, William; Errington, R. John; Carmalt, Claire J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 751 - 753
• a: 16.178 ± 0.002 Å
• b: 16.178 ± 0.002 Å
• c: 12.462 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3261.7 ± 1 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections: 0.1423
• Weighted residual factors for significantly intense reflections: 0.1125
• Goodness-of-fit parameter for all reflections: 1.033
• Goodness-of-fit parameter for significantly intense reflections: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No