Information card for entry 7062192

Structure parameters

• Formula: C13 H10 N2 O4
• Calculated formula: C13 H10 N2 O4
• SMILES: O=C1/C(=C\Nc2c(O)cccc2)C=C(N(=O)=O)C=C1
• Title of publication: Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects
• Authors of publication: Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 43
• Pages of publication: 20940 - 20950
• a: 6.2976 ± 0.0004 Å
• b: 23.6484 ± 0.0013 Å
• c: 7.7663 ± 0.0004 Å
• α: 90°
• β: 94.638 ± 0.002°
• γ: 90°
• Cell volume: 1152.83 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0519
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No