Information card for entry 2102107

Structure parameters

• Formula: C9 H8 Cl N O
• Calculated formula: C9 H8 Cl N O
• SMILES: NC(=O)/C=C/c1ccc(cc1)Cl
• 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: 11.398 ± 0.003 Å
• b: 9.33 ± 0.004 Å
• c: 8.698 ± 0.003 Å
• α: 90°
• β: 108.95 ± 0.02°
• γ: 90°
• Cell volume: 874.8 ± 0.5 ų
• Cell temperature: 298 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No