Information card for entry 2010844

Structure parameters

• Formula: C20 H14 N4 O4
• Calculated formula: C20 H14 N4 O4
• SMILES: O=N(=O)c1cc(C#N)cc(N(=O)=O)c1.n1(c2ccccc2c2ccccc12)C
• Title of publication: Charge-transfer complexes of <i>N</i>-methyl-and <i>N</i>-ethylcarbazole with 3,5-dinitrobenzonitrile
• Authors of publication: Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 4
• Pages of publication: e147 - e148
• a: 8.339 ± 0.002 Å
• b: 27.604 ± 0.004 Å
• c: 7.817 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1799.4 ± 0.7 ų
• Cell temperature: 293 ± 1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes