Information card for entry 1542910

Structure parameters

• Formula: C17 H19 N3 O2 S3
• Calculated formula: C17 H19 N3 O2 S3
• SMILES: c1(c(cccc1)O)C1SC[C@@H](N=1)[C@H]1SC[C@@H]2[C@@H]3N([C@H](C(=O)N12)CS3)C
• Title of publication: Ulbactins F and G, Polycyclic Thiazoline Derivatives with Tumor Cell Migration Inhibitory Activity from Brevibacillus sp.
• Authors of publication: Igarashi, Yasuhiro; Asano, Daisuke; Sawamura, Masashi; In, Yasuko; Ishida, Toshimasa; Imoto, Masaya
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 7
• Pages of publication: 1658 - 1661
• a: 9.8806 ± 0.0014 Å
• b: 10.4876 ± 0.0015 Å
• c: 17.144 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1776.5 ± 0.5 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• 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: 0.035
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No