Information card for entry 2225566

Structure parameters

• Chemical name: 1,5-Dicyanoanthraquinone
• Formula: C16 H6 N2 O2
• Calculated formula: C16 H6 N2 O2
• SMILES: N#Cc1cccc2c1C(=O)c1c(C2=O)c(ccc1)C#N
• Title of publication: 1,5-Dicyanoanthraquinone
• Authors of publication: Armaghan, Mahsa; Amini, Mostafa M.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o767
• a: 3.8256 ± 0.001 Å
• b: 7.0183 ± 0.0019 Å
• c: 21.249 ± 0.006 Å
• α: 90°
• β: 91.064 ± 0.004°
• γ: 90°
• Cell volume: 570.4 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0991
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes