Information card for entry 2205301

Structure parameters

• Formula: C16 H10 N4 O2
• Calculated formula: C16 H10 N4 O2
• SMILES: C1(=O)NC(c2ccccn2)=C2C1=C(c1ccccn1)NC2=O
• Title of publication: 3,6-Di-2-pyridylpyrrolo[3,4-<i>c</i>]pyrrole-1,4(2<i>H</i>,5<i>H</i>)-dione
• Authors of publication: Imoda, Tomohiko; Hirota, Tsuyoshi; Takahashi, Hiroo; Mizuguchi, Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o616 - o618
• a: 16.097 ± 0.002 Å
• b: 3.7144 ± 0.0005 Å
• c: 21.725 ± 0.002 Å
• α: 90°
• β: 110.758 ± 0.007°
• γ: 90°
• Cell volume: 1214.6 ± 0.3 ų
• Cell temperature: 93.2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/a 1
• Hall space group symbol: -P 2ya
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.3457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.905
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes