Information card for entry 7135344

Structure parameters

• Formula: C77 H76 Be Br4 N7
• Calculated formula: C77 H76 Be Br4 N7
• Title of publication: Ring expansion of an antiaromatic beryllole: synthesis of novel five-, seven- and nine-membered beryllacycles.
• Authors of publication: Tröster, Tobias; Saha, Koushik; Roy, Dipak Kumar; Dewhurst, Rian D.; Braunschweig, Holger
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 17
• Pages of publication: 5032 - 5036
• a: 14.361 ± 0.005 Å
• b: 15.539 ± 0.007 Å
• c: 18.59 ± 0.005 Å
• α: 82.622 ± 0.008°
• β: 67.945 ± 0.015°
• γ: 64.377 ± 0.008°
• Cell volume: 3464 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No