Information card for entry 2217508

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: Triclinic 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: o376 - o376
• a: 6.014 ± 0.001 Å
• b: 10.001 ± 0.001 Å
• c: 10.513 ± 0.002 Å
• α: 91.164 ± 0.002°
• β: 94.815 ± 0.002°
• γ: 106.336 ± 0.003°
• Cell volume: 604.01 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes