Information card for entry 2234186

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-Benzylideneadamantan-1-amine
• Formula: C17 H21 N
• Calculated formula: C17 H21 N
• SMILES: C12(CC3CC(C2)CC(C1)C3)/N=C/c1ccccc1
• Title of publication: (<i>E</i>)-<i>N</i>-Benzylideneadamantan-1-amine
• Authors of publication: Jin, Xu-Dong; Yin, Xue-Yue; Wang, Hai-Bo; Chang, Xiao-Hong; Jin, Yue-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1130
• a: 6.48 ± 0.002 Å
• b: 7.141 ± 0.002 Å
• c: 29.674 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1373.1 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes