Information card for entry 8103256

Structure parameters

• Common name: 2-((1-(1-adamantyl)ethyl)iminomethyl)-3-methoxyphenol
• Chemical name: 2-((1-(1-adamantyl)ethyl)iminomethyl)-3-methoxyphenol
• Formula: C20 H27 N O2
• Calculated formula: C20 H27 N O2
• SMILES: N(=C\c1c(O)c(OC)ccc1)/C(C)C12CC3CC(CC(C1)C3)C2
• Title of publication: Crystal structure of 2-methoxy-6-{[1-(1-adamantyl)ethyl]imino}methylphenol, C20H27NO2
• Authors of publication: Xu-Dong Jin; Hai-Bo Wang; Chun-Hua Ge
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 4
• Pages of publication: 631
• a: 10.1635 ± 0.0011 Å
• b: 12.883 ± 0.0015 Å
• c: 14.0684 ± 0.0017 Å
• α: 90°
• β: 111.13 ± 0.001°
• γ: 90°
• Cell volume: 1718.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1192
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No