Information card for entry 2100264

Structure parameters

• Chemical name: (E)-[1-(4-methoxyphenyl)-3-phenyl-2-propenylideneamino)oxyacetic acid
• Formula: C18 H17 N O4
• Calculated formula: C18 H17 N O4
• SMILES: OC(=O)CO/N=C(\C=C\c1ccc(OC)cc1)c1ccccc1
• Title of publication: Concomitant polymorphism and a temperature-dependent phase change in (<i>E</i>)-[1-(4-methoxyphenyl)-3-phenyl-2-propenylideneamino]oxyacetic acid
• Authors of publication: Skakle, Janet M. S.; Low, John N.; Wardell, James L.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: 321 - 328
• a: 12.1552 ± 0.0004 Å
• b: 15.8657 ± 0.0004 Å
• c: 16.6708 ± 0.0005 Å
• α: 90°
• β: 97.425 ± 0.0015°
• γ: 90°
• Cell volume: 3188.02 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0923
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No