Information card for entry 7101398

Structure parameters

• Common name: 5
• Formula: C58 H91 As B N3
• Calculated formula: C58 H91 As B N3
• Title of publication: A donor-stabilized strategy for the preparation ofP=B and As=B double bonds
• Authors of publication: Eric Rivard; W. Alexander Merrill; James C. Fettinger; Philip P. Power
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 36
• a: 12.7587 ± 0.0013 Å
• b: 21.142 ± 0.002 Å
• c: 20.465 ± 0.002 Å
• α: 90°
• β: 96.813 ± 0.002°
• γ: 90°
• Cell volume: 5481.3 ± 0.9 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• 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: 0.1071
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.1875
• Weighted residual factors for all reflections included in the refinement: 0.2007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No