Information card for entry 7115701

Structure parameters

• Chemical name: 1
• Formula: C154 H148 B4 N6 O3 Si2
• Calculated formula: C154 H148 B4 N6 O3 Si2
• Title of publication: Investigating the ring expansion reaction of pentaphenylborole and an azide
• Authors of publication: Shannon A. Couchman; Trevor K. Thompson; David J. D. Wilson; Jason L. Dutton; Caleb D. Martin
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 11724
• a: 11.8934 ± 0.0008 Å
• b: 26.2175 ± 0.0018 Å
• c: 20.3647 ± 0.0015 Å
• α: 90°
• β: 101.101 ± 0.002°
• γ: 90°
• Cell volume: 6231.2 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0833
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No