Information card for entry 2236407

Structure parameters

• Common name: FK228
• Chemical name: (1<i>S</i>,4<i>S</i>,7<i>Z</i>,10<i>S</i>,16<i>E</i>,21<i>R</i>)-7- ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23- tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone
• Formula: C24 H36 N4 O6 S2
• Calculated formula: C24 H36 N4 O6 S2
• SMILES: S1SCC/C=C/[C@H]2OC(=O)[C@@H](NC(=O)/C(=C/C)NC(=O)[C@H](NC(=O)[C@H](NC(=O)C2)C(C)C)C1)C(C)C
• Title of publication: FK228 from <i>Burkholderia thailandensis</i> MSMB43
• Authors of publication: Liu, Xiang-Yang; Wang, Cheng; Cheng, Yi-Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2757 - o2758
• a: 9.1085 ± 0.0002 Å
• b: 16.2431 ± 0.0004 Å
• c: 9.4192 ± 0.0002 Å
• α: 90°
• β: 92.096 ± 0.001°
• γ: 90°
• Cell volume: 1392.64 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0252
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes