Information card for entry 4030497

Structure parameters

• Formula: C12 H30 B20
• Calculated formula: C12 B20
• SMILES: [C]1234([CH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121)Cc1ccccc1C[C]1234[CH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121
• Title of publication: organofunctionalized derivatives of alpha-carborane as molecular precursors to non-oxide ceramics of boron
• Authors of publication: Johnson, S. E.; Gomez, F. A.; Hawthorne, M. F.; Thorne, K. J.; Mackenzie, J. D.
• Journal of publication: European Journal of Solid State and Inorganic Chemistry
• Year of publication: 1992
• Journal volume: 29
• Journal issue: Supp
• Pages of publication: 113 - 125
• a: 6.7064 ± 0.0004 Å
• b: 11.229 ± 0.0006 Å
• c: 30.71 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2312.7 ± 0.2 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P c 21 n
• Hall space group symbol: P -2n -2ac
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No