Information card for entry 1502501

Structure parameters

• Formula: C19 H27.25 N2 O9.63
• Calculated formula: C19 H27.26 N2 O9.625
• SMILES: n1c(cc2O[C@H]3O[C@@H]([C@@H](OC)[C@H](O)[C@]3(Oc2c1c1ncccc1)OC)C)CO.O.O.O
• 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: 24.47 ± 0.003 Å
• b: 24.47 ± 0.003 Å
• c: 7.359 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4406.4 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.1903
• Residual factor for significantly intense reflections: 0.0985
• Weighted residual factors for significantly intense reflections: 0.2179
• Weighted residual factors for all reflections included in the refinement: 0.2495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No