Information card for entry 2214067

Structure parameters

• Common name: substituted-carbazole
• Chemical name: Methyl 9-methyl-1-oxo-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate
• Formula: C15 H15 N O3
• Calculated formula: C15 H15 N O3
• SMILES: O=C1C(CCc2c3ccccc3n(C)c12)C(=O)OC
• Title of publication: Methyl 9-methyl-1-oxo-2,3,4,9-tetrahydro-1<i>H</i>-carbazole-2-carboxylate
• Authors of publication: A. Thiruvalluvar; A. Thomas Gunaseelan; A. Ebenezer Martin; K. J. Rajendra Prasad; R.J. Butcher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3093 - o3093
• a: 9.1267 ± 0.0003 Å
• b: 8.2114 ± 0.0003 Å
• c: 17.2304 ± 0.0009 Å
• α: 90°
• β: 91.151 ± 0.004°
• γ: 90°
• Cell volume: 1291.04 ± 0.09 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1657
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes