Information card for entry 7005592

Structure parameters

• Common name: 1
• Formula: C26 H28 B N
• Calculated formula: C26 H28 B N
• SMILES: n1(B(c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)ccc2ccccc12
• 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: 8.2148 ± 0.001 Å
• b: 11.6163 ± 0.0013 Å
• c: 12.2308 ± 0.0014 Å
• α: 105.341 ± 0.002°
• β: 94.143 ± 0.002°
• γ: 106.575 ± 0.002°
• Cell volume: 1064.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0955
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No