Information card for entry 2211085

Structure parameters

• Common name: 2-(2-(1,3-dioxoisoindolin-2-yl)ethyl)isoindoline-1,3-dione
• Chemical name: 2,2'-(Ethane-1,2-diyl)bis(isoindoline-1,3-dione)
• Formula: C18 H12 N2 O4
• Calculated formula: C18 H12 N2 O4
• SMILES: O=C1N(CCN2C(=O)c3c(C2=O)cccc3)C(=O)c2c1cccc2
• Title of publication: 2,2'-(Ethane-1,2-diyl)bis(isoindoline-1,3-dione)
• Authors of publication: Liang, Zu-Pei; Li, Jian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5282 - o5283
• a: 4.8627 ± 0.0012 Å
• b: 9.312 ± 0.002 Å
• c: 16.785 ± 0.004 Å
• α: 90°
• β: 92.618 ± 0.004°
• γ: 90°
• Cell volume: 759.3 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.077
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes