Information card for entry 7061499

Structure parameters

• Formula: C5 H16 B10
• Calculated formula: C5 H16 B10
• SMILES: [CH]1234[CH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[B]%11%102([BH]291[BH]168[BH]734[BH]5%1121)/C=C/C
• Title of publication: Synthesis of mono- and polyfunctional organosilicon derivatives of polyhedral carboranes for the preparation of hybrid polymer materials
• Authors of publication: Minyaylo, E. O.; Kudryavtseva, A. I.; Zubova, V. Y.; Anisimov, A. A.; Zaitsev, A. V.; Ol'shevskaya, V. A.; Dolgushin, F. M.; Peregudov, A. S.; Muzafarov, A. M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 11143 - 11148
• a: 14.37 ± 0.0008 Å
• b: 10.2079 ± 0.0006 Å
• c: 7.7368 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1134.89 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No