Information card for entry 2232422

Structure parameters

• Chemical name: 6,6'-(Pyridine-2,6-diyl)bis(pyrrolo[3,4-<i>b</i>]pyridine-5,7-dione)
• Formula: C19 H9 N5 O4
• Calculated formula: C19 H9 N5 O4
• SMILES: O=C1c2ncccc2C(=O)N1c1cccc(n1)N1C(=O)c2c(C1=O)nccc2
• Title of publication: 6,6'-(Pyridine-2,6-diyl)bis(pyrrolo[3,4-<i>b</i>]pyridine-5,7-dione)
• Authors of publication: Van der Berg, P. C. W.; Visser, Hendrik G.; Roodt, Andreas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3130
• a: 14.539 ± 0.001 Å
• b: 7.391 ± 0.001 Å
• c: 15.686 ± 0.001 Å
• α: 90°
• β: 108.752 ± 0.002°
• γ: 90°
• Cell volume: 1596.1 ± 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: 0.038
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes