Information card for entry 7222286

Structure parameters

• Formula: C20 H25 N O9 S
• Calculated formula: C20 H25 N O9 S
• SMILES: S(=O)(=O)(O[C@@H]1[C@H]2OC(O[C@H]2O[C@@H]1[C@@]1(NC(=O)CC1)C(=O)OC)(C)C)c1ccc(cc1)C
• Title of publication: D-Glucose Based Synthesis of Proline-Serine C-C Linked Central and Right Hand Core of Kaitocephalin-a Glutamate Receptor Antagonist
• Authors of publication: Markad, Pramod R.; Rohokale, Rajendra S.; Pawar, Nitin J.; Dhavale, Dilip Dattatray
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.5776 ± 0.0003 Å
• b: 6.352 ± 0.0002 Å
• c: 19.1584 ± 0.0008 Å
• α: 90°
• β: 91.364 ± 0.0009°
• γ: 90°
• Cell volume: 1043.55 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1095
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No