Information card for entry 7061605

Structure parameters

• Formula: C11 H10 N2 O4
• Calculated formula: C11 H10 N2 O4
• SMILES: o1c(C=C2C(=O)N(C(=O)N(C2=O)C)C)ccc1
• Title of publication: A visible-light-gated donor–acceptor Stenhouse adduct chemosensor: synthesis, photochromism and naked-eye colorimetric/fluorometric sensing of Al3+ and Zn2+
• Authors of publication: Fu, Peng; Yan, Qing; Wang, Sheng; Wu, Hanlun; Cao, Derong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 12600 - 12608
• a: 12.8617 ± 0.0005 Å
• b: 6.1503 ± 0.0002 Å
• c: 13.2247 ± 0.0006 Å
• α: 90°
• β: 99.683 ± 0.004°
• γ: 90°
• Cell volume: 1031.21 ± 0.07 ų
• Cell temperature: 169.99 ± 0.12 K
• Ambient diffraction temperature: 169.99 ± 0.12 K
• Number of distinct elements: 4
• 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: 0.054
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No