Information card for entry 7008546

Structure parameters

• Formula: C6 H18 B10 O
• Calculated formula: C6 H18 B10 O
• SMILES: OCC[C]1234[C]567(C=C)[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
• Title of publication: Synthesis and structural characterization of mono- and bisfunctional o-carboranes.
• Authors of publication: Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 14
• Pages of publication: 2375 - 2381
• a: 13.3919 ± 0.0008 Å
• b: 7.7928 ± 0.0005 Å
• c: 25.8501 ± 0.0015 Å
• α: 90°
• β: 100.843 ± 0.001°
• γ: 90°
• Cell volume: 2649.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1532
• Residual factor for significantly intense reflections: 0.1023
• Weighted residual factors for significantly intense reflections: 0.2487
• Weighted residual factors for all reflections included in the refinement: 0.2949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No