Information card for entry 2233756

Structure parameters

• Chemical name: 2,6-Bis[(<i>S</i>)-1-phenylethyl]-1<i>H</i>,5<i>H</i>- pyrrolo[3,4-<i>f</i>]isoindole-1,3,5,7(2<i>H</i>,6<i>H</i>)-tetrone
• Formula: C26 H20 N2 O4
• Calculated formula: C26 H20 N2 O4
• SMILES: O=C1N([C@@H](c2ccccc2)C)C(=O)c2c1cc1c(c2)C(=O)N(C1=O)[C@H](C)c1ccccc1
• Title of publication: 2,6-Bis[(<i>S</i>)-1-phenylethyl]-1<i>H</i>,5<i>H</i>-pyrrolo[3,4-<i>f</i>]isoindole-1,3,5,7(2<i>H</i>,6<i>H</i>)-tetrone
• Authors of publication: Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; Alanazi, Amer M.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o907
• a: 5.6401 ± 0.0001 Å
• b: 16.104 ± 0.0002 Å
• c: 11.3759 ± 0.0002 Å
• α: 90°
• β: 99.762 ± 0.002°
• γ: 90°
• Cell volume: 1018.29 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes