Information card for entry 7204084

Structure parameters

• Formula: C27 H23 B N2
• Calculated formula: C27 H23 B N2
• SMILES: c1(ccccc1)[B](c1ccccc1)(c1ccccc1)[n]1cn(cc1)c1ccccc1
• 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: 27.494 ± 0.001 Å
• b: 9.4662 ± 0.0006 Å
• c: 20.009 ± 0.001 Å
• α: 90°
• β: 127.67 ± 0.03°
• γ: 90°
• Cell volume: 4122.1 ± 1.7 ų
• Cell temperature: 173 ± 0.2 K
• Ambient diffraction temperature: 173 ± 0.2 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: 0.0957
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No