Information card for entry 7131771

Structure parameters

• Common name: ToTr014_ToTr
• Formula: C82 H98 Be2 N4 O
• Calculated formula: C82 H98 Be2 N4 O
• 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: 21.498 ± 0.006 Å
• b: 16.76 ± 0.004 Å
• c: 20.238 ± 0.004 Å
• α: 90°
• β: 102.81 ± 0.01°
• γ: 90°
• Cell volume: 7110 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No