Information card for entry 4324972

Structure parameters

• Formula: C4 H18 B10 O
• Calculated formula: C4 H18 B10 O
• SMILES: [BH]1234[BH]567[BH]891[BH]1%102[BH]2%119[BH]978[BH]76([B]35([BH]34%10[BH]12([H]%11)[H]3)(OCC#CC)[H]7)[H]9
• Title of publication: Syntheses and Surprising Regioselectivity of 5- and 6-Substituted Decaboranyl Ethers via the Nucleophilic Attack of Alcohols on 6- and 5-Halodecaboranes
• Authors of publication: William C. Ewing; Patrick J. Carroll; Larry G. Sneddon
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4054 - 4064
• a: 7.094 ± 0.003 Å
• b: 12.518 ± 0.005 Å
• c: 14.907 ± 0.006 Å
• α: 68.796 ± 0.015°
• β: 86.318 ± 0.018°
• γ: 77.129 ± 0.015°
• Cell volume: 1203 ± 0.9 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No