Information card for entry 2214673

Structure parameters

• Chemical name: (3R,3aS,6R,6aR)-tert-Butyl N-(6-chloro-2-oxo-6a-phenylperhydrofuro[3,2-b]furan-3-yl)carbamate
• Formula: C17 H20 Cl N O5
• Calculated formula: C17 H20 Cl N O5
• SMILES: Cl[C@H]1[C@@]2(OC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H]2OC1)c1ccccc1
• Title of publication: (3<i>R</i>,3a<i>S</i>,6<i>R</i>,6a<i>R</i>)-<i>tert</i>-Butyl <i>N</i>-(6-chloro-2-oxo-6a-phenylperhydrofuro[3,2-<i>b</i>]furan-3-yl)carbamate
• Authors of publication: Erdsack, Jörg; Schürmann, Markus; Preut, Hans; Krause, Norbert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3371 - o3371
• a: 6.1519 ± 0.0007 Å
• b: 12.029 ± 0.002 Å
• c: 23.655 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1750.5 ± 0.5 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 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: 0.1433
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes