Information card for entry 1559706

Structure parameters

• Formula: C23 H10 F6 N4 O2
• Calculated formula: C23 H10 F6 N4 O2
• Title of publication: Basic enemies of photochromism: irreversible transformation of fluorinated diarylethenes to polyenic enamines and enols.
• Authors of publication: Sysoiev, Dmytro; Huhn, Thomas
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2020
• Journal volume: 19
• Journal issue: 11
• Pages of publication: 1511 - 1516
• a: 21.89 ± 0.004 Å
• b: 9.2771 ± 0.0015 Å
• c: 10.6726 ± 0.0014 Å
• α: 90°
• β: 99.344 ± 0.012°
• γ: 90°
• Cell volume: 2138.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.127
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No