Information card for entry 4037340

Structure parameters

• Formula: C14 H26 Cl3 N O5 Si2
• Calculated formula: C14 H26 Cl3 N O5 Si2
• SMILES: ClC(Cl)(Cl)C(=O)N[C@H]1[C@H]2O[C@@H]([C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)CO2
• Title of publication: Synthesis of d-Galactosamine and d-Allosamine Derivatives via a Microwave-Assisted Preparation of 1,6-Anhydroglucosamine.
• Authors of publication: Dhurandhare, Vijay M.; Wen, Yuh-Sheng; Gawande, Sachin D.; Liao, Pin-Hsuan; Wang, Cheng-Chung
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 22
• Pages of publication: 11521 - 11528
• a: 9.4564 ± 0.0002 Å
• b: 11.1358 ± 0.0002 Å
• c: 20.344 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2142.32 ± 0.08 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• 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: 0.0254
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No