Information card for entry 2230343

Structure parameters

• Chemical name: Ethyl 4-oxo-2,3,4,9-tetrahydro-1<i>H</i>-carbazole-3-carboxylate
• Formula: C15 H15 N O3
• Calculated formula: C15 H15 N O3
• SMILES: O=C1C(CCc2c1c1ccccc1[nH]2)C(=O)OCC
• Title of publication: Ethyl 4-oxo-2,3,4,9-tetrahydro-1<i>H</i>-carbazole-3-carboxylate
• Authors of publication: Gündoğdu, Cevher; Göçmentürk, Mustafa; Ergün, Yavuz; Tercan, Barış; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1470 - o1471
• a: 9.1057 ± 0.0003 Å
• b: 12.7031 ± 0.0004 Å
• c: 21.3874 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2473.89 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes