Information card for entry 7005596

Structure parameters

• Common name: 5
• Formula: C32 H32 B N
• Calculated formula: C32 H32 B N
• SMILES: n1(B(c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)cc(c2ccccc12)c1ccccc1
• Title of publication: Three-coordinate organoboron with a B=N bond: substituent effects, luminescence/electroluminescence and reactions with fluoride.
• Authors of publication: Cui, Yi; Li, Fenghong; Lu, Zheng-Hong; Wang, Suning
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 25
• Pages of publication: 2634 - 2643
• a: 11.4353 ± 0.001 Å
• b: 18.5158 ± 0.0015 Å
• c: 11.949 ± 0.001 Å
• α: 90°
• β: 92.268 ± 0.001°
• γ: 90°
• Cell volume: 2528 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0945
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No