Information card for entry 2217507

Structure parameters

• Chemical name: 1,2,4,5-tetracyclohexylbenzene
• Formula: C30 H46
• Calculated formula: C30 H46
• SMILES: C1CCC(CC1)c1cc(C2CCCCC2)c(cc1C1CCCCC1)C1CCCCC1
• Title of publication: Monoclinic form of 1,2,4,5-tetracyclohexylbenzene
• Authors of publication: Mague, Joel T.; Linhardt, Lisa; Medina, Iliana; Sattler, Daniel J.; Fink, Mark J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o375 - o375
• a: 10.3868 ± 0.0007 Å
• b: 10.1434 ± 0.0007 Å
• c: 11.5419 ± 0.0008 Å
• α: 90°
• β: 93.314 ± 0.001°
• γ: 90°
• Cell volume: 1213.99 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• 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: 0.0519
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes