Information card for entry 2010622

Structure parameters

• Chemical name: 5-(3,4,5-trimethoxyphenyl)-1,2,3,5-tetrahydro-11a-naphto[1,8-f,g] indolizine-3-one
• Formula: C24 H23 N O4
• Calculated formula: C24 H23 N O4
• SMILES: [C@H]1(c2cc(c(c(c2)OC)OC)OC)c2cccc3cccc(c23)[C@H]2N1C(=O)CC2.[C@@H]1(c2cc(c(c(c2)OC)OC)OC)c2cccc3cccc(c23)[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: 9.909 ± 0.001 Å
• b: 8.519 ± 0.001 Å
• c: 23.793 ± 0.001 Å
• α: 90°
• β: 98.104 ± 0.004°
• γ: 90°
• Cell volume: 1988.4 ± 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: 0.0437
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes