Information card for entry 7103753

Structure parameters

• Formula: C19 H24 B9 N
• Calculated formula: C19 H24 B9 N
• SMILES: [n]1(ccc(cc1)Cc1ccccc1)[B]1234[BH]567[C]89(c%10ccccc%10)[BH]%1015[BH]158[BH]869[BH]695[BH]2%101[BH]49[BH]3786
• Title of publication: Polyhedral monocarbaborane chemistry. Routes to neutral, monoanionic and dianionic carbo-carbaborane-rods.
• Authors of publication: John D. Kennedy; Neil J. Bullen; Andreas Franken; Colin A. Kilner
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• a: 9.9181 ± 0.0002 Å
• b: 10.8545 ± 0.0003 Å
• c: 19.3643 ± 0.0004 Å
• α: 90°
• β: 97.272 ± 0.001°
• γ: 90°
• Cell volume: 2067.91 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0521
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No