Information card for entry 7109509

Structure parameters

• Formula: C18 H16 N2 O3
• Calculated formula: C18 H16 N2 O3
• SMILES: c1cccc2c1C(C)(C)C(=N2)/C=C/c1c(ccc(c1)N(=O)=O)O
• Title of publication: Stress acidulated amphoteric molecules and mechanochromism via reversible intermolecular proton transfer
• Authors of publication: Yi Wang; Minjie Li; Yumo Zhang; Jin Yang; Shaoyin Zhu; Lan Sheng; Xudong Wang; Bing Yang; Sean Xiao-An Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 6587
• a: 16.289 ± 0.005 Å
• b: 5.772 ± 0.005 Å
• c: 16.527 ± 0.005 Å
• α: 90 ± 0.005°
• β: 92.596 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1552.3 ± 1.5 ų
• 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: 0.067
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No