Information card for entry 2103826

Structure parameters

• Formula: C19 H20 Cl N O3
• Calculated formula: C19 H20 Cl N O3
• 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: 21.18 ± 0.004 Å
• b: 4.977 ± 0.0012 Å
• c: 33.642 ± 0.004 Å
• α: 90°
• β: 91.29 ± 0.011°
• γ: 90°
• Cell volume: 3545.4 ± 1.2 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: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.201
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes