Information card for entry 4330387

Structure parameters

• Chemical name: 1-acetoxymethyl-7-phenyl-1,2-dicarba-closo-dodecaborane(10)
• Formula: C11 H20 B10 O2
• Calculated formula: C11 H20 B10 O2
• Title of publication: Acid-Induced Opening of [closo-B10H10]2- as a New Route to 6-Substituted nido-B10H13 Decaboranes and Related Carboranes
• Authors of publication: Oleg Bondarev; Yulia V. Sevryugina; Satish S. Jalisatgi; M. Frederick Hawthorne
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9935 - 9942
• a: 11.249 ± 0.0003 Å
• b: 12.0008 ± 0.0003 Å
• c: 13.2015 ± 0.0004 Å
• α: 90°
• β: 113.557 ± 0.001°
• γ: 90°
• Cell volume: 1633.64 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0557
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No