Information card for entry 2241150

Structure parameters

• Chemical name: 9<i>H</i>-Carbazole-2,7-dicarboxylic acid dimethyl ester
• Formula: C16 H13 N O4
• Calculated formula: C16 H13 N O4
• SMILES: O(C(=O)c1cc2[nH]c3c(c2cc1)ccc(c3)C(=O)OC)C
• Title of publication: Crystal structure of 9<i>H</i>-carbazole-2,7-dicarboxylic acid dimethyl ester
• Authors of publication: Lehane, Ryan L.; Golen, James A.; Rheingold, Arnold L.; Manke, David R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: o784 - o785
• a: 29.684 ± 0.002 Å
• b: 5.8264 ± 0.0004 Å
• c: 15.421 ± 0.0011 Å
• α: 90°
• β: 96.252 ± 0.003°
• γ: 90°
• Cell volume: 2651.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes