Information card for entry 1559707

Structure parameters

• Formula: C29 H34 F6 O4 S2
• Calculated formula: C29 H34 F6 O4 S2
• 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: 25.3473 ± 0.0019 Å
• b: 11.025 ± 0.0008 Å
• c: 10.6805 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2984.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No