Information card for entry 7231810

Structure parameters

• Formula: C9 H23 B8 I
• Calculated formula: C9 H23 B8 I
• Title of publication: Quantitative syntheses of permethylated closo-1,10-R2C2B8Me8 (R = H, Me) carboranes. Egg-shaped hydrocarbons on the Frontier between inorganic and organic chemistry
• Authors of publication: Bakardjiev, Mario; Tok, Oleg L.; Růžička, Aleš; Růžičková, Zdeňka; Holub, Josef; Hnyk, Drahomír; Fanfrlík, Jindřich; Štíbr, Bohumil
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 67
• Pages of publication: 38238
• a: 7.7088 ± 0.0004 Å
• b: 13.5358 ± 0.0007 Å
• c: 16.1895 ± 0.0009 Å
• α: 90°
• β: 102.909 ± 0.002°
• γ: 90°
• Cell volume: 1646.59 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No