Information card for entry 7045307

Structure parameters

• Formula: C9 H22 B10 O
• Calculated formula: C9 H22 B10 O
• SMILES: O=C1[C]2345[C]678(C(C1)CCCC)[BH]192[BH]2%103[BH]3%114[BH]456[BH]56%11[BH]%11%103[BH]392[BH]271[BH]845[BH]6%1132
• Title of publication: Synthesis of carborane-fused carbo- and heterocycles via zirconacyclopentane intermediates.
• Authors of publication: Cui, Chun-Xiao; Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 7
• Pages of publication: 2453 - 2459
• a: 9.7372 ± 0.001 Å
• b: 6.7953 ± 0.0007 Å
• c: 22.715 ± 0.003 Å
• α: 90°
• β: 98.023 ± 0.002°
• γ: 90°
• Cell volume: 1488.3 ± 0.3 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No