Information card for entry 7135342

Structure parameters

• Formula: C55 H65 Be N S2
• Calculated formula: C55 H65 Be N S2
• 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: 10.9982 ± 0.0009 Å
• b: 14.4252 ± 0.0012 Å
• c: 15.7174 ± 0.0013 Å
• α: 91.496 ± 0.002°
• β: 98.37 ± 0.002°
• γ: 108.461 ± 0.002°
• Cell volume: 2333.1 ± 0.3 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: 0.0805
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No