Information card for entry 4310756

Structure parameters

• Formula: C5 H16 B7 N
• Calculated formula: C5 H16 B7 N
• SMILES: [BH]1234[BH]567[BH]891[BH]16[CH]7([BH]356[BH]23([H]6)[BH]48([H]3)[CH2]91)CCC#N
• Title of publication: Reactions of arachno-6,8-C2B7H12- with Electron Deficient Olefins: Syntheses of Cyano-Substituted Carboranes
• Authors of publication: Daniel E. Kadlecek; Daewon Hong; Patrick J. Carroll; Larry G. Sneddon
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1933 - 1942
• a: 11.7236 ± 0.0011 Å
• b: 13.6056 ± 0.0008 Å
• c: 7.039 ± 0.0006 Å
• α: 92.36 ± 0.005°
• β: 102.756 ± 0.004°
• γ: 87.387 ± 0.006°
• Cell volume: 1093.36 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1075
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections: 0.2555
• Weighted residual factors for significantly intense reflections: 0.2338
• Goodness-of-fit parameter for all reflections: 1.119
• Goodness-of-fit parameter for significantly intense reflections: 1.16
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No