Information card for entry 2102104

Structure parameters

• Formula: C10 H11 N O
• Calculated formula: C10 H11 N O
• SMILES: NC(=O)/C=C/c1ccc(cc1)C
• Title of publication: Crystal-to-crystal photodimerization of <i>trans</i>-cinnamamides
• Authors of publication: Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 682 - 689
• a: 23.599 ± 0.003 Å
• b: 9.148 ± 0.003 Å
• c: 8.208 ± 0.003 Å
• α: 90°
• β: 87.69 ± 0.02°
• γ: 90°
• Cell volume: 1770.5 ± 0.9 ų
• Cell temperature: 298 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes