Information card for entry 1506495

Structure parameters

• Formula: C48 H100 B40 Si5
• Calculated formula: C48 H100 B40 Si5
• SMILES: [Si](CC[Si]([C]1234[C]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)c1ccccc1)(C)C)(CC[Si]([C]1234[C]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)c1ccccc1)(C)C)(CC[Si]([C]1234[C]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)c1ccccc1)(C)C)CC[Si]([C]1234[C]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)c1ccccc1)(C)C
• Title of publication: Approaches to the preparation of carborane-containing carbosilane compounds.
• Authors of publication: Núñez, Rosario; González, Arántzazu; Viñas, Clara; Teixidor, Francesc; Sillanpää, Reijo; Kivekäs, Raikko
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 2
• Pages of publication: 231 - 233
• a: 12.7957 ± 0.0001 Å
• b: 18.2036 ± 0.0002 Å
• c: 33.0523 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7698.8 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c 21 b
• Hall space group symbol: P -2bc -2c
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No