Information card for entry 2201948

Structure parameters

• Chemical name: 2(R)-Hydroxy-4-(4-methoxybenzoyl)-2-methoxycarbonylmethyl-5-(4-methoxyphenyl)- 1-(2-methylphenyl)-2,3-dihydro-1H-3-pyrrolone
• Formula: C29 H27 N O7
• Calculated formula: C29 H27 N O7
• SMILES: OC1(N(C(=C(C1=O)C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccccc1C)CC(=O)OC
• Title of publication: 2(<i>R</i>)-Hydroxy-4-(4-methoxybenzoyl)-2-methoxycarbonylmethyl-5-(4-methoxyphenyl)-1-(2-methylphenyl)-2,3-dihydro-1<i>H</i>-3-pyrrolone
• Authors of publication: Sema Öztürk; Mustafa Saçmacı; Hakan Üngören; Mehmet Akkurt; Hoong-Kun Fun; Yunus Akçamur
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o881 - o882
• a: 8.948 ± 0.005 Å
• b: 11.254 ± 0.005 Å
• c: 13.724 ± 0.005 Å
• α: 110.167 ± 0.005°
• β: 93.755 ± 0.005°
• γ: 90.106 ± 0.005°
• Cell volume: 1294.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1373
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.2047
• Weighted residual factors for all reflections included in the refinement: 0.2571
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes