Information card for entry 7132325

Structure parameters

• Formula: C20 H24 Br2 O
• Calculated formula: C20 H24 Br2 O
• Title of publication: Intramolecular C–N bond activation by a transient boryl anion
• Authors of publication: Nahon, Emily E.; Nelmes, Gareth Roland; Brothers, Penelope Jane; Hicks, Jamie
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 8.7569 ± 0.0001 Å
• b: 16.9749 ± 0.0002 Å
• c: 12.7839 ± 0.0002 Å
• α: 90°
• β: 91.531 ± 0.001°
• γ: 90°
• Cell volume: 1899.62 ± 0.04 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0214
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No