Information card for entry 2223604

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>-Dicyclohexyl-2-(5,7-dichloro-8-quinolyloxy)acetamide
• Formula: C23 H28 Cl2 N2 O2
• Calculated formula: C23 H28 Cl2 N2 O2
• SMILES: Clc1cc(Cl)c2cccnc2c1OCC(=O)N(C1CCCCC1)C1CCCCC1
• Title of publication: <i>N</i>,<i>N</i>-Dicyclohexyl-2-(5,7-dichloro-8-quinolyloxy)acetamide
• Authors of publication: Wang, Jing-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2663
• a: 9.8476 ± 0.0011 Å
• b: 10.7542 ± 0.0012 Å
• c: 11.1376 ± 0.0012 Å
• α: 72.392 ± 0.002°
• β: 86.88 ± 0.002°
• γ: 80.208 ± 0.002°
• Cell volume: 1107.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes