Information card for entry 4024694

Structure parameters

• Formula: C22 H29 N O8
• Calculated formula: C22 H29 N O8
• SMILES: C1=C([C@@H]([C@H]([C@@H](COC(=O)C)O1)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OC
• Title of publication: Regio- and Stereocontrolled Selective Debenzylation and Substitution Reactions of C-2 Formyl Glycals. Application in the Synthesis of Constrained β-Sugar Amino Acids
• Authors of publication: Girish K. Rawal; Shikha Rani; Nitee Kumari; Yashwant D. Vankar
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 5349 - 5355
• a: 11.534 ± 0.002 Å
• b: 9.6312 ± 0.0018 Å
• c: 11.875 ± 0.002 Å
• α: 90°
• β: 118.994 ± 0.003°
• γ: 90°
• Cell volume: 1153.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No