Information card for entry 2207845

Structure parameters

• Chemical name: 3,6-Di-3-pyridylpyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione
• Formula: C16 H10 N4 O2
• Calculated formula: C16 H10 N4 O2
• SMILES: C12C(=O)NC(c3cccnc3)=C1C(=O)NC=2c1cccnc1
• Title of publication: 3,6-Di-3-pyridylpyrrolo[3,4-<i>c</i>]pyrrole-1,4(2<i>H</i>,5<i>H</i>)-dione
• Authors of publication: Hirota, Tsuyoshi; Imoda, Tomohiko; Takahashi, Hiroo; Mizuguchi, Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o111 - o113
• a: 3.6616 ± 0.0005 Å
• b: 15.0089 ± 0.0019 Å
• c: 10.9791 ± 0.0013 Å
• α: 90°
• β: 98.823 ± 0.009°
• γ: 90°
• Cell volume: 596.23 ± 0.13 ų
• Cell temperature: 100.1 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 significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.2134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.5419 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes