Information card for entry 4348584

Structure parameters

• Formula: C8 H14 B8
• Calculated formula: C8 H14 B8
• SMILES: c1(ccccc1)[C]123[BH]456[BH]789[BH]%10%11[BH]%12%137[CH]71([BH]1%10%12[BH]48%11[BH]3671)[BH]259%13
• Title of publication: Click Dehydrogenation of Carbon-Substituted nido-5,6-C2B8H12 Carboranes: A General Route to closo-1,2-C2B8H10 Derivatives.
• Authors of publication: Tok, Oleg L.; Bakardjiev, Mario; Štíbr, Bohumil; Hnyk, Drahomír; Holub, Josef; Padělková, Zdenka; Růžička, Aleš
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 8839 - 8843
• a: 6.193 ± 0.002 Å
• b: 18.106 ± 0.012 Å
• c: 10.332 ± 0.01 Å
• α: 90°
• β: 102.42 ± 0.05°
• γ: 90°
• Cell volume: 1131.4 ± 1.4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 3
• 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: 0.09
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No