Information card for entry 4515400

Structure parameters

• Formula: C21 H20 N2 O5
• Calculated formula: C21 H20 N2 O5
• SMILES: O1c2c(cc(N(=O)=O)cc2)C=CC21N(c1c(cc(C(=O)OC)cc1)C2(C)C)C
• Title of publication: Tetraphenylethene-Induced Free Volumes for the Isomerization of Spiropyran toward Multifunctional Materials in the Solid State.
• Authors of publication: Wu, Zhen; Pan, Kai; Mo, Shenzhong; Wang, Bijun; Zhao, Xujie; Yin, Meizhen
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 36
• Pages of publication: 30879 - 30886
• a: 10.0146 ± 0.0004 Å
• b: 11.1886 ± 0.0006 Å
• c: 17.0626 ± 0.0008 Å
• α: 90°
• β: 100.955 ± 0.005°
• γ: 90°
• Cell volume: 1877.01 ± 0.16 ų
• Cell temperature: 105.5 K
• Ambient diffraction temperature: 105.5 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: 0.0487
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No