Information card for entry 4033403

Structure parameters

• Formula: C19 H23 N3 O5
• Calculated formula: C19 H23 N3 O5
• SMILES: C1[C@H]2CN3C[C@H]([C@@H]4[C@H]([C@@H]3C2=NO1)OC(C)(C)O4)OC(=O)Nc1ccccc1
• Title of publication: Iminosugar C-Nitromethyl Glycoside: Stereoselective Synthesis of Isoxazoline and Isoxazole-Fused Bicyclic Iminosugars.
• Authors of publication: Prasad, Sure Siva; Baskaran, Sundarababu
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 3
• Pages of publication: 1558 - 1564
• a: 6.5854 ± 0.0002 Å
• b: 16.3469 ± 0.0005 Å
• c: 17.4873 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1882.52 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0373
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No