Information card for entry 2242184

Structure parameters

• Common name: <i>N</i>,<i>N</i>'-Didecylpyromellitic diimide
• Chemical name: 2,6-Didecylpyrrolo[3,4-<i>f</i>]isoindole-1,3,5,7(2<i>H</i>,6<i>H</i>)-tetraone
• Formula: C30 H44 N2 O4
• Calculated formula: C30 H44 N2 O4
• SMILES: O=C1N(CCCCCCCCCC)C(=O)c2c1cc1C(=O)N(C(=O)c1c2)CCCCCCCCCC
• Title of publication: Crystal structure of <i>N</i>,<i>N</i>'-didecylpyromellitic diimide
• Authors of publication: Im, Hansu; Choi, Myong Yong; Moon, Cheol Joo; Kim, Tae Ho
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 6
• Pages of publication: 838 - 841
• a: 30.6365 ± 0.0016 Å
• b: 5.0149 ± 0.0003 Å
• c: 8.9393 ± 0.0005 Å
• α: 90°
• β: 93.98 ± 0.003°
• γ: 90°
• Cell volume: 1370.11 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0461
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes