Information card for entry 2226889

Structure parameters

• Chemical name: 2-(4-Methylcyclohex-3-enyl)propan-2-yl <i>N</i>-phenylcarbamate
• Formula: C17 H23 N O2
• Calculated formula: C17 H23 N O2
• SMILES: O=C(OC(C1CCC(=CC1)C)(C)C)Nc1ccccc1
• Title of publication: 2-(4-Methylcyclohex-3-enyl)propan-2-yl <i>N</i>-phenylcarbamate
• Authors of publication: Ghalib, Raza Murad; Sulaiman, Othman; Mehdi, Sayed Hasan; Goh, Jia Hao; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1889 - o1890
• a: 19.3067 ± 0.0019 Å
• b: 9.0058 ± 0.0009 Å
• c: 8.9521 ± 0.0009 Å
• α: 90°
• β: 100.964 ± 0.003°
• γ: 90°
• Cell volume: 1528.1 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes