Information card for entry 2102111

Structure parameters

• Formula: C18 H16 Cl2 N2 O2
• Calculated formula: C18 H16 Cl2 N2 O2
• SMILES: NC(=O)[C@@H]1[C@H](c2ccc(cc2)Cl)[C@H]([C@H]1c1ccc(cc1)Cl)C(=O)N
• 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: 8.733 ± 0.003 Å
• b: 18.578 ± 0.009 Å
• c: 5.21 ± 0.003 Å
• α: 91.86 ± 0.04°
• β: 93.04 ± 0.04°
• γ: 93.21 ± 0.03°
• Cell volume: 842.2 ± 0.7 ų
• Cell temperature: 298 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.6
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No