Information card for entry 2010623

Structure parameters

• Chemical name: 5-(3,4,5-trimethoxyphenyl)-1,2,3,5,12,12a-hexahydronaphto[1,2-f] indolizine-3,12-dione
• Formula: C25 H23 N O5
• Calculated formula: C25 H23 N O5
• SMILES: [C@H]1(c2cc(c(c(c2)OC)OC)OC)c2c(ccc3ccccc23)C(=O)[C@H]2N1C(=O)CC2.[C@@H]1(c2cc(c(c(c2)OC)OC)OC)c2c(ccc3ccccc23)C(=O)[C@@H]2N1C(=O)CC2
• 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: 10.868 ± 0.001 Å
• b: 12.937 ± 0.001 Å
• c: 15.049 ± 0.001 Å
• α: 90°
• β: 96.009 ± 0.004°
• γ: 90°
• Cell volume: 2104.3 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes