Information card for entry 2209049

Structure parameters

• Common name: N-methyl-N-cis-styrylcinnamamide hydrate
• Chemical name: N-Methyl-N-cis-styrylcinnamamide monohydrate
• Formula: C18 H19 N O2
• Calculated formula: C18 H19 N O2
• SMILES: c1ccccc1/C=C/C(=O)N(/C=C\c1ccccc1)C.O
• Title of publication: <i>N</i>-Methyl-<i>N</i>-<i>cis</i>-styrylcinnamamide monohydrate, a compound of Clausenaminade from <i>Clausena lansium</i> (Lour.) Skeels
• Authors of publication: Xue-Song Huang; Shi-Yi Ou; Shu-Ze Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1987 - o1988
• a: 30.7601 ± 0.0008 Å
• b: 30.7601 ± 0.0008 Å
• c: 6.6023 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6247 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes