Information card for entry 7159653

Structure parameters

• Formula: C17 H21 N O8
• Calculated formula: C17 H20 N O8
• SMILES: O1[C@@H](/C=C\2C(=O)N(c3ccccc3)C(=O)C2)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO.O.O
• Title of publication: Solvent-free synthesis and <i>in-silico</i> molecular docking study of (<i>E</i>)-3-(β-<i>C</i>-glycosylmethylidene)-<i>N</i>-aryl/alkyl succinimides.
• Authors of publication: Shankar, Bhawani; Singh, Tejveer; Kumar, Banty; Arora, Aditi; Kumar, Sumit; Singh, Brajendra K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 47
• Pages of publication: 9398 - 9409
• a: 46.814 ± 0.006 Å
• b: 5.8604 ± 0.0008 Å
• c: 12.4797 ± 0.0016 Å
• α: 90°
• β: 105.085 ± 0.007°
• γ: 90°
• Cell volume: 3305.8 ± 0.8 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No