Information card for entry 7152929

Structure parameters

• Formula: C29 H25 N3 O10
• Calculated formula: C29 H25 N3 O10
• SMILES: O=N(=O)c1ccc(C(=O)O[C@H]2[C@H](N([C@H](c3ccccc3)C)[C@@H]3[C@H]2OC(=O)C3)COC(=O)c2ccc(N(=O)=O)cc2)cc1.O=N(=O)c1ccc(C(=O)O[C@@H]2[C@@H](N([C@@H](c3ccccc3)C)[C@H]3[C@@H]2OC(=O)C3)COC(=O)c2ccc(N(=O)=O)cc2)cc1
• Title of publication: Highly stereoselective directed reactions and an efficient synthesis of azafuranoses from a chiral aziridine.
• Authors of publication: Lee, Hogyu; Kim, Jun Hee; Lee, Won Koo; Cho, Jaeheung; Nam, Wonwoo; Lee, Jaedeok; Ha, Hyun-Joon
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 22
• Pages of publication: 3629 - 3634
• a: 9.4026 ± 0.0002 Å
• b: 32.1434 ± 0.0007 Å
• c: 9.1405 ± 0.0002 Å
• α: 90°
• β: 110.9 ± 0.001°
• γ: 90°
• Cell volume: 2580.78 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No