Information card for entry 7210132

Structure parameters

• Formula: C15 H13 N O2
• Calculated formula: C15 H13 N O2
• SMILES: c1(ccccc1)/C=C/C(=O)Nc1ccc(cc1)O
• Title of publication: Structural understanding of solid-state photodimerization reactions of cinnamic amide derivatives in terms of reaction cavities ‒ color developer for thermosensitive paper
• Authors of publication: Kodama, Satoshi; Johmoto, Kohei; Sekine, Akiko; Fujii, Kotaro; Uekusa, Hidehiro
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 23
• Pages of publication: 4667
• a: 6.814 ± 0.0003 Å
• b: 18.4539 ± 0.0009 Å
• c: 10.2513 ± 0.0005 Å
• α: 90°
• β: 95.17 ± 0.001°
• γ: 90°
• Cell volume: 1283.8 ± 0.11 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No