Information card for entry 4023099

Structure parameters

• Formula: C12 H15 N O8 S
• Calculated formula: C12 H15 N O8 S
• SMILES: S1(=O)(=O)O[C@@]23[C@H]4OC(O[C@H]4O[C@@H]2CN2[C@@]3(OCC2=O)C1)(C)C
• Title of publication: Synthesis of Highly Condensed Polycyclic Carbohydrates by Reaction of a Spirocyclic Enamino Sulfonate Derived from D-Xylofuranose with Bifunctional Reagents
• Authors of publication: Alessandra Cordeiro; María Luisa Jimeno; Miguel A. Maestro; María-José Camarasa; Ernesto Quesada; Ana San-Félix
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 9713 - 9721
• a: 10.2966 ± 0.0013 Å
• b: 6.4115 ± 0.0008 Å
• c: 10.7707 ± 0.0014 Å
• α: 90°
• β: 98.091 ± 0.002°
• γ: 90°
• Cell volume: 703.97 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0825
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No