Information card for entry 2230932

Structure parameters

• Chemical name: 2-<i>tert</i>-Butyl-6-(cyclohexyliminomethyl)-4-methoxyphenol
• Formula: C18 H27 N O2
• Calculated formula: C18 H27 N O2
• SMILES: COc1cc(/C=N/C2CCCCC2)c(c(c1)C(C)(C)C)O
• Title of publication: 2-<i>tert</i>-Butyl-6-(cyclohexyliminomethyl)-4-methoxyphenol
• Authors of publication: Jamjah, Roghayieh; Nekoomanesh, Mehdi; Pourjafar, Tayebeh; Zohuri, Gholam Hossein; Afshartaromi, Faramarz; Notash, Behrouz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1775 - o1776
• a: 10.388 ± 0.002 Å
• b: 13.325 ± 0.003 Å
• c: 13.766 ± 0.003 Å
• α: 111.37 ± 0.03°
• β: 108.31 ± 0.03°
• γ: 92.46 ± 0.03°
• Cell volume: 1657.7 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1702
• Weighted residual factors for all reflections included in the refinement: 0.2087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes