Information card for entry 2010620

Structure parameters

• Chemical name: methyl N-[4-methoxyphenyl-(3,4,5-trimethoxyphenyl)-methyl]pyroglutamate
• Formula: C23 H27 N O7
• Calculated formula: C23 H27 N O7
• SMILES: [C@H](c1cc(c(c(c1)OC)OC)OC)(c1ccc(cc1)OC)N1C(=O)CC[C@@H]1C(=O)OC.[C@@H](c1cc(c(c(c1)OC)OC)OC)(c1ccc(cc1)OC)N1C(=O)CC[C@H]1C(=O)OC
• Title of publication: Structural analysis of pyrrolidinones
• Authors of publication: Camus, Fabrice; Norberg, Bernadette; Legrand, Anne; Rigo, Benoit; Durant, François; Wouters, Johan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 193 - 196
• a: 8.481 ± 0.001 Å
• b: 14.206 ± 0.001 Å
• c: 18.273 ± 0.001 Å
• α: 90°
• β: 90.538 ± 0.004°
• γ: 90°
• Cell volume: 2201.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0456
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes