Information card for entry 7103477

Structure parameters

• Formula: C24 H40 B10
• Calculated formula: C24 H40 B10
• SMILES: [C]1234([BH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[C]168([BH]734[BH]5%1121)C1(CCCCC1)C1=CCC=C1)C1(CCCCC1)C1=CCC=C1
• Title of publication: Unprecedented steric deformation of ortho-carborane.
• Authors of publication: Hutton, Brian W; MacIntosh, Fraser; Ellis, David; Herisse, Fabien; Macgregor, Stuart A; McKay, David; Petrie-Armstrong, Victoria; Rosair, Georgina M; Perekalin, Dmitry S; Tricas, Hugo; Welch, Alan J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 42
• Pages of publication: 5345 - 5347
• a: 21.315 ± 0.004 Å
• b: 8.1515 ± 0.0016 Å
• c: 15.649 ± 0.003 Å
• α: 90°
• β: 112.03 ± 0.03°
• γ: 90°
• Cell volume: 2520.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No