Information card for entry 1569704

Structure parameters

• Formula: C19 H18 O5
• Calculated formula: C19 H18 O5
• Title of publication: 2,3-Diarylmaleate salts as a versatile class of diarylethenes with a full spectrum of photoactivity in water.
• Authors of publication: Bolotova, Iumzhana A.; Ustyuzhanin, Alexander O.; Sergeeva, Ekaterina S.; Faizdrakhmanova, Anna A.; Hai, Yu; Stepanov, Andrey V.; Ushakov, Igor A.; Lyssenko, Konstantin A.; You, Lei; Lvov, Andrey G.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 35
• Pages of publication: 9553 - 9559
• a: 9.538 ± 0.002 Å
• b: 10.289 ± 0.002 Å
• c: 16.613 ± 0.004 Å
• α: 90°
• β: 94.677 ± 0.01°
• γ: 90°
• Cell volume: 1624.9 ± 0.6 ų
• Cell temperature: 139 ± 2 K
• Ambient diffraction temperature: 139 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No