Information card for entry 4305382

Structure parameters

• Formula: C4 H16 B10
• Calculated formula: C4 H16 B10
• SMILES: [BH]1234[BH]567[CH]89%10[B]%11%125([BH]5%13%14[BH]%15%16%17[B]%188([BH]169[BH]3%15%18[BH]4%13%16[BH]27%115)([CH]%10%12%14%17)C)C
• Title of publication: Designed Synthesis of New ortho-Carborane Derivatives: from Mono- to Polysubstituted Frameworks
• Authors of publication: Gemma Barberà; Albert Vaca; Francesc Teixidor; Reijo Sillanpää; Raikko Kivekäs; Clara Viñas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7309 - 7316
• a: 14.8528 ± 0.0007 Å
• b: 6.8281 ± 0.0003 Å
• c: 11.5332 ± 0.0006 Å
• α: 90°
• β: 114.22 ± 0.005°
• γ: 90°
• Cell volume: 1066.7 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1088
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.2524
• Weighted residual factors for all reflections included in the refinement: 0.2678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No