Information card for entry 2223483

Structure parameters

• Chemical name: 3-(6-Benzyloxy-2,2-dimethylperhydrofuro[2,3-<i>d</i>][1,3]dioxolan-5-yl)- 5-(4-chlorophenyl)-4-nitro-2-phenyl-2,3,4,5-tetrahydroisoxazole
• Formula: C29 H29 Cl N2 O7
• Calculated formula: C29 H29 Cl N2 O7
• SMILES: c1cc(ccc1[C@@H]1[C@H]([C@@H](N(O1)c1ccccc1)[C@H]1O[C@@H]2OC(O[C@@H]2[C@H]1OCc1ccccc1)(C)C)N(=O)=O)Cl
• Title of publication: 3-(6-Benzyloxy-2,2-dimethylperhydrofuro[2,3-<i>d</i>][1,3]dioxolan-5-yl)-5-(4-chlorophenyl)-4-nitro-2-phenyl-2,3,4,5-tetrahydroisoxazole
• 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: 10
• Pages of publication: o2305 - o2306
• a: 12.7862 ± 0.0005 Å
• b: 13.016 ± 0.0005 Å
• c: 16.8232 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2799.8 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes