Information card for entry 4024692

Structure parameters

• Formula: C18 H20 O7
• Calculated formula: C18 H20 O7
• SMILES: C1=C([C@H]([C@H]([C@H](COC(=O)C)O1)OCc1ccccc1)OC(=O)C)C=O
• 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: 7.5823 ± 0.0007 Å
• b: 8.0179 ± 0.0007 Å
• c: 28.521 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1733.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0654
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No