Information card for entry 4335660

Structure parameters

• Formula: C17 H35 B8 N
• Calculated formula: C17 H35 B8 N
• SMILES: [CH]123[C]45([CH]67[BH]894[BH]4%107[BH]76[BH]62[BH]2%111[BH]84([BH]3592)[BH]%1076%11)c1ccccc1.[N+](CC)(CC)(CC)CC
• Title of publication: Carbon Insertion into arachno-6,9-C2B8H14 via Acyl Chlorides. Skeletal Alkylcarbonation (SAC) Reactions: A New Route for Tricarbollides
• Authors of publication: Mario Bakardjiev; Bohumil Štíbr; Josef Holub; Zdeňka Padělková; Aleš Růžička
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 9087 - 9093
• a: 9.857 ± 0.0006 Å
• b: 15.3321 ± 0.0009 Å
• c: 13.894 ± 0.0009 Å
• α: 90°
• β: 91.977 ± 0.005°
• γ: 90°
• Cell volume: 2098.5 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1218
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.1991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No