Information card for entry 1569702

Structure parameters

• Formula: C22 H19 N O5
• Calculated formula: C22 H19 N O5
• SMILES: O(C(=O)c1c(c2c(c(c1NC(=O)c1ccccc1)C)cccc2)C(=O)OC)C
• 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: 10.4074 ± 0.0006 Å
• b: 18.1894 ± 0.001 Å
• c: 9.8502 ± 0.0006 Å
• α: 90°
• β: 100.929 ± 0.002°
• γ: 90°
• Cell volume: 1830.87 ± 0.18 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 K
• Number of distinct elements: 4
• 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: 0.0649
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No