Information card for entry 7157564

Structure parameters

• Formula: C46 H45 N6 O7 S2
• Calculated formula: C46 H45 N6 O7 S2
• SMILES: S(=O)(=O)(N1[C@@H](CN(S(=O)(=O)c2ccc(cc2)C)Cc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1Cn1nc2nc[nH]c(=O)c2c1)c1ccc(cc1)C
• Title of publication: Synthesis of novel homoazanucleosides and their peptidyl analogs.
• Authors of publication: Salunke, Rahul Vilas; Mishra, Pawan Kumar; Sanghvi, Yogesh S.; Ramesh, Namakkal G.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 29
• Pages of publication: 5639 - 5651
• a: 10.295 ± 0.009 Å
• b: 11.374 ± 0.008 Å
• c: 36.37 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4259 ± 6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.3148
• Residual factor for significantly intense reflections: 0.1246
• Weighted residual factors for significantly intense reflections: 0.2737
• Weighted residual factors for all reflections included in the refinement: 0.3622
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No