Information card for entry 2235770

Structure parameters

• Chemical name: 9-Allyl-9<i>H</i>-carbazole-3,6-dicarbaldehyde
• Formula: C17 H13 N O2
• Calculated formula: C17 H13 N O2
• SMILES: n1(c2c(c3c1ccc(c3)C=O)cc(cc2)C=O)CC=C
• Title of publication: 9-Allyl-9<i>H</i>-carbazole-3,6-dicarbaldehyde
• Authors of publication: Hu, Bin Bin; Zeng, Xiang Chao; Bian, Lei; He, Ru
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2517
• a: 8.4062 ± 0.0008 Å
• b: 10.3279 ± 0.001 Å
• c: 15.2432 ± 0.0019 Å
• α: 90°
• β: 94.958 ± 0.009°
• γ: 90°
• Cell volume: 1318.4 ± 0.2 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: 0.0795
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes