Information card for entry 4514541

Structure parameters

• Formula: C22 H22 N2 O5
• Calculated formula: C22 H22 N2 O5
• SMILES: O=C(N/N=C/c1c(OC)ccc2c1cccc2)c1cc(OC)c(OC)c(OC)c1
• 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: 30.83 ± 0.003 Å
• b: 8.2576 ± 0.0008 Å
• c: 24.308 ± 0.003 Å
• α: 90°
• β: 108.745 ± 0.002°
• γ: 90°
• Cell volume: 5860.1 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.116
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No