Information card for entry 1502500

Structure parameters

• Formula: C19 H21 N3 O7
• Calculated formula: C19 H21 N3 O7
• SMILES: O1[C@H]([C@H](OC)[C@H]([C@]2(OC)Oc3c(nc(cc3O[C@H]12)/C=N/O)c1ncccc1)O)C
• Title of publication: Cyclic bipyridine glycosides from the marine-derived actinomycete Actinoalloteichus cyanogriseus WH1-2216-6.
• Authors of publication: Fu, Peng; Liu, Peipei; Li, Xia; Wang, Yi; Wang, Shuxia; Hong, Kui; Zhu, Weiming
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 22
• Pages of publication: 5948 - 5951
• a: 7.1319 ± 0.0001 Å
• b: 10.2706 ± 0.0001 Å
• c: 24.8328 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1818.98 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0295
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No