Information card for entry 7005591

Structure parameters

• Formula: C36 H44 B2 O
• Calculated formula: C36 H44 B2 O
• SMILES: O(B(c1c(C)cc(cc1C)C)c1c(cc(cc1C)C)C)B(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• 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: 8.9762 ± 0.0013 Å
• b: 8.5219 ± 0.0012 Å
• c: 40.736 ± 0.006 Å
• α: 90°
• β: 93.164 ± 0.003°
• γ: 90°
• Cell volume: 3111.3 ± 0.8 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2035
• Residual factor for significantly intense reflections: 0.0986
• Weighted residual factors for significantly intense reflections: 0.3214
• Weighted residual factors for all reflections included in the refinement: 0.356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No