Information card for entry 1507093

Structure parameters

• Common name: Glyco-amino-acid
• Formula: C49 H62 N2 O14
• Calculated formula: C49 H62 N2 O14
• SMILES: O1[C@H](OC)[C@H]([C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1C)[C@H](NC(=O)N[C@@H]([C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](O[C@@H]1OC)C)C(=O)OC)C(=O)OC.O
• Title of publication: Efficient methodology for the synthesis of 2-C-branched glyco-amino acids by ring opening of 1,2-cyclopropanecarboxylated sugars.
• Authors of publication: Sridhar, Perali Ramu; Ashalu, K. Chinna; Chandrasekaran, S.
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 1777 - 1779
• a: 7.202 ± 0.004 Å
• b: 19.885 ± 0.01 Å
• c: 17.54 ± 0.009 Å
• α: 90°
• β: 93.671 ± 0.01°
• γ: 90°
• Cell volume: 2507 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0873
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No