Information card for entry 2103820

Structure parameters

• Formula: C19 H20 Cl N O3
• Calculated formula: C19 H20 Cl N O3
• SMILES: Clc1ccc(cc1)/C=C/C(=O)NCCc1cc(OC)c(OC)cc1
• Title of publication: Single-crystal-to-single-crystal photodimerization of 4-chlorocinnamoyl-<i>O</i>,<i>O</i>'-dimethyldopamine
• Authors of publication: Ohba, Shigeru; Ito, Yoshikatsu
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: 149 - 155
• a: 21.499 ± 0.004 Å
• b: 5.0032 ± 0.0014 Å
• c: 33.542 ± 0.005 Å
• α: 90°
• β: 91.518 ± 0.013°
• γ: 90°
• Cell volume: 3606.6 ± 1.3 ų
• Cell temperature: 298 K
• Number of distinct elements: 5
• 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: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.2768
• Goodness-of-fit parameter for all reflections included in the refinement: 2.032
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes