Information card for entry 2218771

Structure parameters

• Chemical name: 9-Ethyl-3,6-diformyl-9H-carbazole
• Formula: C16 H13 N O2
• Calculated formula: C16 H13 N O2
• SMILES: CCn1c2ccc(cc2c2c1ccc(c2)C=O)C=O
• Title of publication: 9-Ethyl-3,6-diformyl-9<i>H</i>-carbazole
• Authors of publication: Wang, Jun Jie; Zhang, Xian; Zhang, Bao Qin; Wang, Gang; Yu, Xiao Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1293
• a: 13.5475 ± 0.0003 Å
• b: 6.6954 ± 0.0001 Å
• c: 14.184 ± 0.0002 Å
• α: 90°
• β: 100.51 ± 0.001°
• γ: 90°
• Cell volume: 1264.99 ± 0.04 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes