Information card for entry 4125504

Structure parameters

• Formula: C29 H23 B Br2
• Calculated formula: C29 H23 B Br2
• 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: 14.577 ± 0.003 Å
• b: 21.308 ± 0.002 Å
• c: 7.6497 ± 0.0011 Å
• α: 90°
• β: 93.398 ± 0.015°
• γ: 90°
• Cell volume: 2371.9 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1029
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.1921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No