Information card for entry 7106774

Structure parameters

• Formula: C36 H34 B N2
• Calculated formula: C36 H34 B N2
• Title of publication: Inhibiting olefin cis, trans-photoisomerization and enhancing electron-accepting ability of a diboryl compound by metal chelation
• Authors of publication: Chul Baik; Suning Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 9432 - 9434
• a: 22.857 ± 0.006 Å
• b: 10.653 ± 0.003 Å
• c: 28.098 ± 0.007 Å
• α: 90°
• β: 104.121 ± 0.005°
• γ: 90°
• Cell volume: 6635 ± 3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.227
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.2173
• Goodness-of-fit parameter for all reflections included in the refinement: 0.797
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No