Information card for entry 2230891

Structure parameters

• Chemical name: Bis[<i>N</i>-benzyl-2-(quinolin-8-yloxy)acetamide] monohydrate
• Formula: C36 H34 N4 O5
• Calculated formula: C36 H34 N4 O5
• SMILES: c1ccc2cccc(c2n1)OCC(=O)NCc1ccccc1.O
• Title of publication: Bis[<i>N</i>-benzyl-2-(quinolin-8-yloxy)acetamide] monohydrate
• Authors of publication: Wang, Ming-Shi; Li, Hai-Yan; Wu, Wei-Na
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1558
• a: 13.7802 ± 0.0012 Å
• b: 12.3129 ± 0.0011 Å
• c: 18.9865 ± 0.0017 Å
• α: 90°
• β: 101.066 ± 0.002°
• γ: 90°
• Cell volume: 3161.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0724
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes