Information card for entry 7135389

Structure parameters

• Formula: C25 H23 Cl3 N3 O6.5
• Calculated formula: C25 H23 Cl3 N3 O6.5
• Title of publication: Bis(<i>N</i>-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 (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 21
• Pages of publication: 5980 - 5984
• a: 12.3523 ± 0.0011 Å
• b: 13.3248 ± 0.001 Å
• c: 15.9694 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2628.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No