Information card for entry 2226687

Structure parameters

• Chemical name: 2,5-Dihexyl-3,6-diphenylpyrrolo[3,4-<i>c</i>]pyrrole- 1,4(2<i>H</i>,5<i>H</i>)-dione
• Formula: C30 H36 N2 O2
• Calculated formula: C30 H36 N2 O2
• SMILES: CCCCCCN1C(=O)C2C(=C1c1ccccc1)C(=O)N(C=2c1ccccc1)CCCCCC
• Title of publication: 2,5-Dihexyl-3,6-diphenylpyrrolo[3,4-<i>c</i>]pyrrole-1,4(2<i>H</i>,5<i>H</i>)-dione
• Authors of publication: Sevinçek, Resul; Çelik, Seçil; Aygün, Muhittin; Alp, Serap; Işık, Şamil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1546
• a: 13.4809 ± 0.0011 Å
• b: 5.5393 ± 0.0003 Å
• c: 17.4838 ± 0.0014 Å
• α: 90°
• β: 90.218 ± 0.007°
• γ: 90°
• Cell volume: 1305.59 ± 0.17 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: 0.0945
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes