Information card for entry 4024693

Structure parameters

• Formula: C21 H22 O5
• Calculated formula: C21 H22 O5
• SMILES: O1[C@H]([C@@H](OCc2ccccc2)[C@H](O)C(=C1)C=O)COCc1ccccc1
• 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: 8.8702 ± 0.0011 Å
• b: 5.7173 ± 0.0007 Å
• c: 17.763 ± 0.002 Å
• α: 90°
• β: 100.694 ± 0.002°
• γ: 90°
• Cell volume: 885.17 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1045
• 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: No
• Has Fobs: No