Information card for entry 4514542

Structure parameters

• Formula: C22 H22 N2 O5
• Calculated formula: C22 H22 N2 O5
• SMILES: O(c1c(/C=N\NC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc2cc1)C
• Title of publication: New Acylhydrazone Photoswitches with Quantitative Conversion and High Quantum Yield but without Hydrogen Bond Stabilizing ( Z)-Isomer.
• Authors of publication: Yuan, Ying-Xue; Zheng, Yan-Song
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 7303 - 7310
• a: 8.1403 ± 0.0012 Å
• b: 8.465 ± 0.0012 Å
• c: 14.778 ± 0.003 Å
• α: 73.936 ± 0.012°
• β: 80.864 ± 0.013°
• γ: 73.952 ± 0.012°
• Cell volume: 936.7 ± 0.3 ų
• Cell temperature: 128 ± 2 K
• Ambient diffraction temperature: 128.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No