Information card for entry 2221612

Structure parameters

• Chemical name: 3-(6-Benzyloxy-2,2-dimethylperhydrofuro[2,3-<i>d</i>][1,3]dioxol-5-yl)- 5-(4-bromophenyl)-2-phenylperhydropyrrolo[3,4-<i>d</i>]isoxazole-4,6-dione
• Formula: C31 H29 Br N2 O7
• Calculated formula: C31 H29 Br N2 O7
• SMILES: c1cc(ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]([C@@H]1[C@@H]([C@@H]3[C@H](O1)OC(C)(C)O3)OCc1ccccc1)N(c1ccccc1)O2)Br
• Title of publication: 3-(6-Benzyloxy-2,2-dimethylperhydrofuro[2,3-<i>d</i>][1,3]dioxol-5-yl)-5-(4-bromophenyl)-2-phenylperhydropyrrolo[3,4-<i>d</i>]isoxazole-4,6-dione
• Authors of publication: NizamMohideen, M.; Damodiran, M.; SubbiahPandi, A.; Perumal, P. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1156
• a: 15.068 ± 0.0012 Å
• b: 6.6801 ± 0.0005 Å
• c: 15.855 ± 0.0012 Å
• α: 90°
• β: 117.578 ± 0.002°
• γ: 90°
• Cell volume: 1414.57 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes