Information card for entry 7131769

Structure parameters

• Common name: ToTr018_ToTr
• Formula: C32 H39 Be N
• Calculated formula: C32 H39 Be N
• Title of publication: Dibenzoberylloles: antiaromatic s-block fluorene analogues
• Authors of publication: Tröster, Tobias; Endres, Franziska; Arrowsmith, Merle; Endres, Lukas; Fantuzzi, Felipe; Braunschweig, Holger
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 9.619 ± 0.004 Å
• b: 22.075 ± 0.005 Å
• c: 13.102 ± 0.005 Å
• α: 90°
• β: 109.446 ± 0.007°
• γ: 90°
• Cell volume: 2623.4 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0599
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No