Information card for entry 2222655

Structure parameters

• Chemical name: Methyl 4-methyl-2-oxo-1,2,5,6-tetrahydro-4<i>H</i>- pyrrolo[3,2,1-ij]quinoline-6-carboxylate
• Formula: C14 H15 N O3
• Calculated formula: C14 H15 N O3
• SMILES: N12[C@H](C)C[C@H](C(=O)OC)c3cccc(c13)CC2=O.N12[C@@H](C)C[C@@H](C(=O)OC)c3cccc(c13)CC2=O
• Title of publication: Methyl 4-methyl-2-oxo-1,2,5,6-tetrahydro-4<i>H</i>-pyrrolo[3,2,1-<i>ij</i>]quinoline-6-carboxylate
• Authors of publication: Zhuravleva, Yulia A.; Zimichev, Anatolij V.; Zemtsova, Margarita N.; Rybakov, Victor B.; Klimochkin, Yurij N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o2059
• a: 8.309 ± 0.003 Å
• b: 18.524 ± 0.005 Å
• c: 8.73 ± 0.003 Å
• α: 90°
• β: 112.3 ± 0.03°
• γ: 90°
• Cell volume: 1243.2 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0595
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes