Information card for entry 1559704

Structure parameters

• Formula: C29 H34 F6 O6
• Calculated formula: C29 H34 F6 O6
• SMILES: C1(OCC(CO1)(C)C)c1cc(c(CC)o1)C1=C(c2cc(C3OCC(CO3)(C)C)oc2CC)C(F)(F)C(C1(F)F)(F)F
• 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: 21.354 ± 0.0016 Å
• b: 12.3394 ± 0.001 Å
• c: 10.9586 ± 0.0008 Å
• α: 90°
• β: 101.844 ± 0.006°
• γ: 90°
• Cell volume: 2826.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0975
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No