Information card for entry 2211630

Structure parameters

• Common name: 4-tert-butyl-1-naphthylcyclohexene
• Chemical name: 4-tert-butyl-1-(1-napthyl)cyclohexene
• Formula: C20 H24
• Calculated formula: C20 H24
• SMILES: CC(C)(C)C1CCC(=CC1)c1cccc2ccccc12
• Title of publication: 4-<i>tert</i>-Butyl-1-(1-naphthyl)cyclohexene
• Authors of publication: M. Periasamy; Sudha Soundirapandian; S. Athimoolam; A. Ponnusamy; S. Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5670 - o5672
• a: 23.8908 ± 0.0018 Å
• b: 16.1042 ± 0.0011 Å
• c: 8.4622 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3255.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1659
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1983
• Weighted residual factors for all reflections included in the refinement: 0.2591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes