Information card for entry 7204081

Structure parameters

• Formula: C30 H28 B N
• Calculated formula: C30 H28 B N
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c1cccc[n+]1C
• Title of publication: The complexation of tetraphenylborate with organic N-heteroaromatic cations
• Authors of publication: Kiviniemi, Sari; Nissinen, Maija; Alaviuhkola, Terhi; Rissanen, Kari; Pursiainen, Jouni
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2001
• Journal issue: 12
• Pages of publication: 2364
• a: 16.148 ± 0.0005 Å
• b: 10.2577 ± 0.0003 Å
• c: 13.9283 ± 0.0004 Å
• α: 90°
• β: 92.572 ± 0.002°
• γ: 90°
• Cell volume: 2304.78 ± 0.12 ų
• Cell temperature: 173 ± 0.2 K
• Ambient diffraction temperature: 173 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No