Information card for entry 7135388

Structure parameters

• Formula: C30 H27 N3 O3
• Calculated formula: C30 H27 N3 O3
• Title of publication: Bis(N-heterocyclic carbene)-Borylene-Mediated Heteroallene Activation
• Authors of publication: Koh, An-Ping; Vernezoul, Gaël; Fan, Jun; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 12.828 ± 0.0007 Å
• b: 12.828 ± 0.0007 Å
• c: 25.5324 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3638.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No