Information card for entry 7154872

Structure parameters

• Chemical name: (N-Cbz-D-Ser-L-Ala-N-Me-L-Cys-N-Me-D-Val)2 (Serine-hydroxy)-Dilactone Disulfide
• Formula: C52 H74 N8 O16 S2
• Calculated formula: C52 H74 N8 O16 S2
• Title of publication: Solution-phase synthesis and biological evaluation of triostin A and its analogues.
• Authors of publication: Hattori, Kozo; Koike, Kota; Okuda, Kensuke; Hirayama, Tasuku; Ebihara, Masahiro; Takenaka, Mei; Nagasawa, Hideko
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 2090 - 2111
• a: 9.9116 ± 0.0019 Å
• b: 24.089 ± 0.004 Å
• c: 12.239 ± 0.002 Å
• α: 90°
• β: 95.877 ± 0.003°
• γ: 90°
• Cell volume: 2906.8 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1015
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No