Information card for entry 4350513

Structure parameters

• Formula: C24 H26 B N
• Calculated formula: C24 H26 B N
• SMILES: c12N(c3c(B(c4c(C)cc(cc4C)C)c1cc(cc2)C)cc(cc3)C)C
• Title of publication: Tuning of the optical properties and Lewis acidity of dibenzopnictogenaborins by modification on bridging main group elements.
• Authors of publication: Agou, Tomohiro; Kobayashi, Junji; Kawashima, Takayuki
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 9137 - 9144
• a: 16.548 ± 0.002 Å
• b: 12.8158 ± 0.0014 Å
• c: 19.342 ± 0.003 Å
• α: 90 ± 0.0016°
• β: 108.956 ± 0.0019°
• γ: 90 ± 0.0016°
• Cell volume: 3879.5 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1195
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No