Information card for entry 7129732

Structure parameters

• Formula: C5 H17 B9 O2
• Calculated formula: C5 H17 B9 O2
• Title of publication: New approaches to functionalization of the 1-carba-closo-decaborate anion
• Authors of publication: Shmalko, Akim; Cendoya, Paula; Anufriev, Sergey A.; Suponitsky, Kyrill; Gabel, Detlef; Sivaev, Igor B.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 7.29 ± 0.0004 Å
• b: 7.6626 ± 0.0005 Å
• c: 11.0968 ± 0.0007 Å
• α: 90°
• β: 105.101 ± 0.002°
• γ: 90°
• Cell volume: 598.47 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No