Information card for entry 7135393

Structure parameters

• Formula: C24 H13 N6 O3.5
• Calculated formula: C24 H13 N6 O3.5
• 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: 10.2262 ± 0.0007 Å
• b: 12.4749 ± 0.0009 Å
• c: 17.7971 ± 0.0011 Å
• α: 102.205 ± 0.002°
• β: 92.512 ± 0.002°
• γ: 104.981 ± 0.002°
• Cell volume: 2132 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No