Information card for entry 2001252

Structure parameters

• Common name: trans-β-ionyl-1-naphthylurethane
• Chemical name: 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-yl naphthalenecarbamoate
• Formula: C24 H28 N O2
• Calculated formula: C24 H28 N O2
• Title of publication: Structure of the naphthylurethane of <i>trans</i>-β-ionol, a severely nonplanar 1,3-diene
• Authors of publication: Beddoes, R. L.; Gorman, A. A.; Unett, D. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 2007 - 2009
• a: 27.961 ± 0.001 Å
• b: 8.154 ± 0.004 Å
• c: 9.34 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2129.5 ± 1.1 ų
• Cell temperature: 294 ± 1 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.081
• Goodness-of-fit parameter for significantly intense reflections: 2.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No