Information card for entry 1518374

Structure parameters

• Formula: C11 H11 N3 O S
• Calculated formula: C11 H11 N3 O S
• SMILES: c1(c(cccc1)NC)c1scc(n1)C(=O)N
• Title of publication: Anithiactins A-C, Modified 2-Phenylthiazoles from a Mudflat-Derived Streptomyces sp.
• Authors of publication: Kim, Hiyoung; Yang, Inho; Patil, Rahul S.; Kang, Sinwoo; Lee, Jihye; Choi, Hyukjae; Kim, Min-Sun; Nam, Sang-Jip; Kang, Heonjoong
• Journal of publication: Journal of natural products
• Year of publication: 2014
• Journal volume: 77
• Journal issue: 12
• Pages of publication: 2716 - 2719
• a: 15.1825 ± 0.0012 Å
• b: 5.2022 ± 0.0004 Å
• c: 14.7674 ± 0.0012 Å
• α: 90°
• β: 111.728 ± 0.002°
• γ: 90°
• Cell volume: 1083.5 ± 0.15 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1498
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1957
• Goodness-of-fit parameter for all reflections included in the refinement: 0.82
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No