Information card for entry 8101943

Structure parameters

• Chemical name: 2-((1-(1-adamantyl)ethyl)iminomethyl)phenol
• Formula: C19 H25 N O
• Calculated formula: C19 H25 N O
• SMILES: Oc1ccccc1/C=N/C(C)C12CC3CC(CC(C3)C2)C1
• Title of publication: Crystal structure of 2-((1-(1-adamantyl)ethyl)iminomethyl)phenol, C~19~H~25~NO
• Authors of publication: Shi, X.; Lü, Z.-X.; Zhao, G.-L.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 2
• Pages of publication: 145 - 147
• a: 6.4436 ± 0.0008 Å
• b: 16.4383 ± 0.0019 Å
• c: 15.3404 ± 0.0018 Å
• α: 90°
• β: 98.536 ± 0.002°
• γ: 90°
• Cell volume: 1606.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No