Information card for entry 2241357

Structure parameters

• Chemical name: (1-Ethoxyethylidene)dimethylazanium tetraphenylborate
• Formula: C30 H34 B N O
• Calculated formula: C30 H34 B N O
• SMILES: O(C(=[N+](C)C)C)CC.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of (1-ethoxyethylidene)dimethylazanium tetraphenylborate
• Authors of publication: Tiritiris, Ioannis; Saur, Stefan; Kantlehner, Willi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o984 - o985
• a: 9.9849 ± 0.0006 Å
• b: 11.5293 ± 0.0007 Å
• c: 21.198 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2440.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes