Information card for entry 1540517

Structure parameters

• Formula: C45 H26 Cl2 F N5
• Calculated formula: C45 H26 Cl2 F N5
• Title of publication: Developing efficient heavy-atom-free photosensitizers applicable to TTA upconversion in polymer films
• Authors of publication: Peng, Jiang; Guo, Xinyan; Jiang, Xinpeng; Zhao, Dahui; Ma, Yuguo
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 2
• Pages of publication: 1233
• a: 11.74 ± 0.005 Å
• b: 21.882 ± 0.009 Å
• c: 28.231 ± 0.011 Å
• α: 90°
• β: 92.244 ± 0.008°
• γ: 90°
• Cell volume: 7247 ± 5 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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 all reflections: 0.2311
• Residual factor for significantly intense reflections: 0.2184
• Weighted residual factors for significantly intense reflections: 0.5118
• Weighted residual factors for all reflections included in the refinement: 0.5154
• Goodness-of-fit parameter for all reflections included in the refinement: 3.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No