Information card for entry 2238228

Structure parameters

• Chemical name: 8-[(3-Phenyl-1,2,4-oxadiazol-5-yl)methoxy]quinoline monohydrate
• Formula: C18 H15 N3 O3
• Calculated formula: C18 H15 N3 O3
• SMILES: c1ccc(cc1)c1noc(n1)COc1cccc2c1nccc2.O
• Title of publication: 8-[(3-Phenyl-1,2,4-oxadiazol-5-yl)methoxy]quinoline monohydrate
• Authors of publication: Bai, Shu-Yuan; Shen, Hong; Han, Xin-Yi; Lv, Ling-Jie; Wang, Hai-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1034
• a: 7.043 ± 0.0014 Å
• b: 7.58 ± 0.0015 Å
• c: 29.114 ± 0.006 Å
• α: 90°
• β: 95.33 ± 0.03°
• γ: 90°
• Cell volume: 1547.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1069
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes