Information card for entry 1550080

Structure parameters

• Chemical name: Ethyl 2-{[2-(2-ethoxy-2-oxoethoxy)quinolin-4-yl]carbonyloxy}acetate
• Formula: C18 H19 N O7
• Calculated formula: C18 H19 N O7
• SMILES: O(c1nc2ccccc2c(c1)C(=O)OCC(=O)OCC)CC(=O)OCC
• Title of publication: Ethyl 2-{[2-(2-ethoxy-2-oxoethoxy)quinolin-4-yl]carbonyloxy}acetate
• Authors of publication: Bouzian, Younos; Hlimi, Fouzia; kheira Sebbar, Nada; El Hafi, Mohamed; Hni, Brahim; Essassi, El Mokhtar; Mague, Joel T.
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 10
• Pages of publication: x181438
• a: 4.9417 ± 0.0002 Å
• b: 7.6157 ± 0.0003 Å
• c: 23.4472 ± 0.0009 Å
• α: 94.49 ± 0.002°
• β: 92.997 ± 0.002°
• γ: 98.136 ± 0.002°
• Cell volume: 869.06 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes