Information card for entry 2231581

Structure parameters

• Chemical name: <i>rac</i>-2-{[1-(1-Adamantyl)ethyl]iminomethyl}-5-methoxyphenol
• Formula: C20 H27 N O2
• Calculated formula: C20 H27 N O2
• SMILES: N(=C\c1c(O)cc(OC)cc1)/C(C)C12CC3CC(CC(C1)C3)C2
• Title of publication: <i>rac</i>-2-{[1-(1-Adamantyl)ethyl]iminomethyl}-5-methoxyphenol
• Authors of publication: Jin, Xu-Dong; Wang, Hai-Bo; Jin, Yue-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2233
• a: 9.9656 ± 0.0012 Å
• b: 16.1791 ± 0.0017 Å
• c: 11.6239 ± 0.0013 Å
• α: 90°
• β: 113.575 ± 0.001°
• γ: 90°
• Cell volume: 1717.7 ± 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: 0.0917
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes