Information card for entry 7228623

Structure parameters

• Formula: C20 H30 N2 O8 S2
• Calculated formula: C20 H30 N2 O8 S2
• Title of publication: Eutypellazines A‒M, thiodiketopiperazine-type alkaloids from deep sea derived fungus Eutypella sp. MCCC 3A00281
• Authors of publication: Niu, Siwen; Liu, Dong; Shao, Zongze; Proksch, Peter; Lin, Wenhan
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 53
• Pages of publication: 33580
• a: 9.16165 ± 0.00019 Å
• b: 9.5804 ± 0.0002 Å
• c: 25.5833 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2245.5 ± 0.08 ų
• Cell temperature: 103.3 K
• Ambient diffraction temperature: 103.3 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: 0.0414
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No