Information card for entry 7119168

Structure parameters

• Formula: C22 H23 N3 O4
• Calculated formula: C22 H23 N3 O4
• SMILES: O=C1Oc2cc(N(CC)CC)ccc2C=C1/C=N/NC(=O)c1ccc(OC)cc1
• Title of publication: Synthesis and piezochromic luminescence study of a coumarin hydrozone compound
• Authors of publication: Haiyan Yu; Wang Ren; Hongguang Lu; Yanan Liang; Qiusheng Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 7387
• a: 10.9129 ± 0.0004 Å
• b: 7.8194 ± 0.0003 Å
• c: 22.428 ± 0.0008 Å
• α: 90°
• β: 97.304 ± 0.002°
• γ: 90°
• Cell volume: 1898.3 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0431
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No