Information card for entry 2218127

Structure parameters

• Chemical name: 2-[1-(4-Ethoxyphenyl)-2-oxo-4-styrylazetidin-3-yl]isoindoline-1,3-dione
• Formula: C27 H22 N2 O4
• Calculated formula: C27 H22 N2 O4
• SMILES: O=C1N(C(=O)c2c1cccc2)[C@@H]1C(=O)N([C@@H]1/C=C/c1ccccc1)c1ccc(OCC)cc1.O=C1N(C(=O)c2c1cccc2)[C@H]1C(=O)N([C@H]1/C=C/c1ccccc1)c1ccc(OCC)cc1
• Title of publication: 2-[1-(4-Ethoxyphenyl)-2-oxo-4-styrylazetidin-3-yl]isoindoline-1,3-dione
• Authors of publication: Akkurt, Mehmet; Karaca, Selvi; Jarrahpour, Ali Asghar; Zarei, Maaroof; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o924
• a: 33.756 ± 0.0017 Å
• b: 7.0403 ± 0.0002 Å
• c: 31.0482 ± 0.0017 Å
• α: 90°
• β: 140.454 ± 0.003°
• γ: 90°
• Cell volume: 4698 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes