Information card for entry 4023426

Structure parameters

• Formula: C14 H25 N O4 Si
• Calculated formula: C14 H25 N O4 Si
• SMILES: [Si]1(OC[C@@H](OC=O)[C@@H](O1)C1=NC1)(C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis of Polyhydroxylated 2H-Azirines and 2-Halo-2H-azirines from 3-Azido-2,3-dideoxyhexopyranoses by Alkoxyl Radical Fragmentation
• Authors of publication: Carmen R. Alonso-Cruz; Alan R. Kennedy; María S. Rodríguez; Ernesto Suárez
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 4116 - 4122
• a: 16.4478 ± 0.0008 Å
• b: 6.2864 ± 0.0003 Å
• c: 16.1368 ± 0.0008 Å
• α: 90°
• β: 95.529 ± 0.002°
• γ: 90°
• Cell volume: 1660.74 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0798
• 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