Information card for entry 7135395

Structure parameters

• Formula: C28 H40 B N3
• Calculated formula: C28 H40 B N3
• 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: 25.0088 ± 0.0017 Å
• b: 8.8029 ± 0.0006 Å
• c: 25.0143 ± 0.0019 Å
• α: 90°
• β: 109.169 ± 0.002°
• γ: 90°
• Cell volume: 5201.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1145
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No