Information card for entry 1507074

Structure parameters

• Formula: C17 H28 N4 O5
• Calculated formula: C17 H28 N4 O5
• SMILES: O1C[C@H](OC1(C)C)[C@@H]1OC(O[C@H]1[C@@H](NC(=O)C)[C@H](N=N#N)CC=C)(C)C
• Title of publication: Synthesis of 4-azido-4-deoxy-Neu5,7,8,9Ac42en1Me. A key intermediate for the synthesis of GG167 from D-glucono-delta-lactone.
• Authors of publication: Liu, Ke-Gang; Yan, Shi; Wu, Yu-Lin; Yao, Zhu-Jun
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 13
• Pages of publication: 2269 - 2272
• a: 20.959 ± 0.002 Å
• b: 9.5785 ± 0.0009 Å
• c: 10.3711 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2082.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.15
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 0.693
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No