Information card for entry 7212829

Structure parameters

• Formula: C15 H22 B10 O
• Calculated formula: C15 H22 B10 O
• SMILES: [C]1234([C]567(C(c8ccccc8)O)[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121)c1ccccc1
• Title of publication: Crystal engineering of o-carboranyl alcohols: syntheses, crystal structures and thermal properties
• Authors of publication: Terrasson, Vincent; García, Yolanda; Farràs, Pau; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Prim, Damien; Light, Mark E.; Hursthouse, Michael B.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 4109
• a: 19.0233 ± 0.0005 Å
• b: 8.3839 ± 0.0002 Å
• c: 22.8968 ± 0.0007 Å
• α: 90°
• β: 96.012 ± 0.002°
• γ: 90°
• Cell volume: 3631.71 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0904
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.1883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No