Information card for entry 2004879

Structure parameters

• Common name: Octahydrochrysene
• Chemical name: 1,2,3,4,7,8,9,10-octahydrochrysene
• Formula: C18 H20
• Calculated formula: C18 H20
• SMILES: C1CCc2c(C1)c1ccc3c(c1cc2)CCCC3
• Title of publication: Redetermination of Octahydrochrysene
• Authors of publication: Burd, C. J.; Dobson, A. J.; Gerkin, R. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1241 - 1243
• a: 9.1293 ± 0.0007 Å
• b: 7.2499 ± 0.0006 Å
• c: 10.0753 ± 0.0008 Å
• α: 90°
• β: 100.793 ± 0.006°
• γ: 90°
• Cell volume: 655.05 ± 0.09 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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 significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.053
• Goodness-of-fit parameter for significantly intense reflections: 1.76
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No