Information card for entry 4134441

Structure parameters

• Formula: C14 H24 N6 O10
• Calculated formula: C14 H24 N6 O10
• SMILES: O1[C@@H](n2cnc3c2nc(nc3)N)[C@@H]2OC[C@@H](O)[C@@]2(O)[C@H](O)[C@H]1[C@H]([NH3+])C(=O)[O-].O.O.O
• Title of publication: Characterization of Miharamycin Biosynthesis Reveals a Hybrid NRPS-PKS to Synthesize High-Carbon Sugar from a Complex Nucleoside.
• Authors of publication: Wang, Fei; Zhang, Wen-He; Zhao, Juan; Kang, Wen-Jia; Wang, Shengyang; Yu, Biao; Pan, Hai-Xue; Tang, Gong-Li
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 13
• Pages of publication: 5996 - 6000
• a: 7.78 ± 0.0001 Å
• b: 8.1061 ± 0.0001 Å
• c: 29.6389 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1869.19 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 172.99 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: 0.0288
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No