Information card for entry 2235949

Structure parameters

• Chemical name: Ethyl 7'-(6-benzyloxy-2,2-dimethyltetrahydrofuro[3,2-<i>d</i>][1,3]dioxol- 5-yl)-2-oxo-5',6',7',7a'-tetrahydro-1'<i>H</i>,2<i>H</i>-spiro[acenaphthylene- 1,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole]-6'-carboxylate
• Formula: C34 H35 N O7 S
• Calculated formula: C34 H35 N O7 S
• SMILES: CCOC(=O)[C@@H]1[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]2OCc2ccccc2)OC(O3)(C)C)[C@H]2N([C@@]31c1cccc4c1c(C3=O)ccc4)CSC2
• Title of publication: Ethyl 7'-(6-benzyloxy-2,2-dimethyltetrahydrofuro[3,2-<i>d</i>][1,3]dioxol-5-yl)-2-oxo-5',6',7',7a'-tetrahydro-1'<i>H</i>,2<i>H</i>-spiro[acenaphthylene-1,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole]-6'-carboxylate
• Authors of publication: Jagadeesan, G.; Sethusankar, K.; Prasanna, R.; Raghunathan, R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2505 - o2506
• a: 8.588 ± 0.005 Å
• b: 20.446 ± 0.005 Å
• c: 8.851 ± 0.005 Å
• α: 90 ± 0.005°
• β: 93.282 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1551.6 ± 1.3 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: 0.0465
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0834
• 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: Yes
• Has Fobs: Yes