Information card for entry 1503681

Structure parameters

• Formula: C13 H11 N3 O5 S2
• Calculated formula: C13 H11 N3 O5 S2
• SMILES: S1S[C@@]2(N(C(=O)[C@]31N(c1cc(N(=O)=O)ccc1C3)C2=O)C)CO
• Title of publication: Glionitrin A, an antibiotic-antitumor metabolite derived from competitive interaction between abandoned mine microbes.
• Authors of publication: Park, Hyun Bong; Kwon, Hak Cheol; Lee, Chang-Ho; Yang, Hyun Ok
• Journal of publication: Journal of natural products
• Year of publication: 2009
• Journal volume: 72
• Journal issue: 2
• Pages of publication: 248 - 252
• a: 7.512 ± 0.001 Å
• b: 6.6024 ± 0.0008 Å
• c: 15.97 ± 0.003 Å
• α: 90°
• β: 100.287 ± 0.005°
• γ: 90°
• Cell volume: 779.3 ± 0.2 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.487
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No