Information card for entry 2013724

Structure parameters

• Chemical name: Methyl (±)-1-ethyl-2-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-oxo- 2,3-dihydro-1H-pyrrole-2-acetate
• Formula: C24 H25 N O7
• Calculated formula: C24 H25 N O7
• SMILES: OC1(N(C(=C(C1=O)C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1)CC)CC(=O)OC
• Title of publication: Methyl (±)-1-ethyl-2-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1<i>H</i>-pyrrole-2-acetate
• Authors of publication: Akkurt, Mehmet; Öztürk, Sema; Üngören, Hakan; Saçmacı, Mustafa; Fun, Hoong-Kun; Akçamur, Yunus
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: o598 - o600
• a: 10.16 ± 0.005 Å
• b: 10.785 ± 0.005 Å
• c: 11.942 ± 0.005 Å
• α: 66.369 ± 0.005°
• β: 75.928 ± 0.005°
• γ: 72.005 ± 0.005°
• Cell volume: 1129.4 ± 0.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No