Information card for entry 2225174

Structure parameters

• Chemical name: (<i>S</i>)-Perillaldehyde azine
• Formula: C20 H28 N2
• Calculated formula: C20 H28 N2
• SMILES: N(N=CC1=CC[C@H](CC1)C(=C)C)=CC1=CC[C@@H](C(=C)C)CC1
• Title of publication: (<i>S</i>)-Perillaldehyde azine
• Authors of publication: Han, Li-Lu; Shi, Jiang-Hua; Yan, De-Peng; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o561
• a: 8.82 ± 0.0005 Å
• b: 9.7603 ± 0.0006 Å
• c: 10.171 ± 0.0006 Å
• α: 90°
• β: 94.97 ± 0.001°
• γ: 90°
• Cell volume: 872.29 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes