Information card for entry 4125509

Structure parameters

• Formula: C36 H34 B
• Calculated formula: C36 H34 B
• Title of publication: Facile Route to Quadruply Annulated Borepins.
• Authors of publication: Schickedanz, Kai; Radtke, Julian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 7
• Pages of publication: 2842 - 2851
• a: 8.8813 ± 0.001 Å
• b: 11.36 ± 0.0014 Å
• c: 13.4459 ± 0.0019 Å
• α: 93.38 ± 0.011°
• β: 97.697 ± 0.01°
• γ: 93.021 ± 0.01°
• Cell volume: 1339.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1338
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.1931
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No