Information card for entry 7135394

Structure parameters

• Formula: C46 H40 Cl3 N3 O3
• Calculated formula: C46 H40 Cl3 N3 O3
• 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: 12.4889 ± 0.0011 Å
• b: 13.5583 ± 0.0012 Å
• c: 13.632 ± 0.0011 Å
• α: 61.128 ± 0.002°
• β: 78.86 ± 0.003°
• γ: 85.886 ± 0.003°
• Cell volume: 1982.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1032
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.184
• Weighted residual factors for all reflections included in the refinement: 0.2092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No