Information card for entry 4035065

Structure parameters

• Formula: C15 H18 N2 O3
• Calculated formula: C15 H18 N2 O3
• SMILES: c1cccc2c1nc1[C@H]3[C@@H]([C@@H]([C@H](C)O)n21)OC(C)(C)O3
• Title of publication: One-Pot Synthesis of Structurally Diverse Iminosugar-Based Hybrid Molecules.
• Authors of publication: Prasad, Sure Siva; Reddy, Narra Rajashekar; Baskaran, Sundarababu
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 17
• Pages of publication: 9604 - 9618
• a: 5.3196 ± 0.0002 Å
• b: 13.2115 ± 0.0005 Å
• c: 19.4963 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1370.2 ± 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: 0.0326
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No