Information card for entry 2229004

Structure parameters

• Chemical name: 2-[2-(1<i>H</i>-Imidazol-1-yl)-2-adamantyl]phenol
• Formula: C19 H22 N2 O
• Calculated formula: C19 H22 N2 O
• SMILES: C1(C2CC3CC1CC(C3)C2)(c1ccccc1O)n1cncc1
• Title of publication: 2-[2-(1<i>H</i>-Imidazol-1-yl)-2-adamantyl]phenol
• Authors of publication: Osyanin, Vitalij A.; Popova, Yulia V.; Rybakov, Victor B.; Klimochkin, Yurij N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o396
• a: 6.3981 ± 0.0004 Å
• b: 10.3944 ± 0.0007 Å
• c: 12.5345 ± 0.0008 Å
• α: 67.028 ± 0.006°
• β: 84.863 ± 0.006°
• γ: 72.647 ± 0.006°
• Cell volume: 732.22 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0438
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes