Information card for entry 7135391

Structure parameters

• Formula: C27 H18 F3 N3 O3
• Calculated formula: C27 H18 F3 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: 17.846 ± 0.0015 Å
• b: 16.4283 ± 0.0014 Å
• c: 7.7056 ± 0.0007 Å
• α: 90°
• β: 94.458 ± 0.003°
• γ: 90°
• Cell volume: 2252.3 ± 0.3 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: 0.1184
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No