Information card for entry 1555370

Structure parameters

• Formula: C19 H16 O5
• Calculated formula: C19 H16 O5
• SMILES: C1(=O)C=C(C[C@@]2(O)CC(=O)c3c(c4c(O)cccc4cc3[C@@H]12)O)C
• Title of publication: Heterologous Expression of Fluostatin Gene Cluster Leads to a Bioactive Heterodimer.
• Authors of publication: Yang, Chunfang; Huang, Chunshuai; Zhang, Wenjun; Zhu, Yiguang; Zhang, Changsheng
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 21
• Pages of publication: 5324 - 5327
• a: 7.0727 ± 0.0002 Å
• b: 8.9761 ± 0.0008 Å
• c: 11.4306 ± 0.0005 Å
• α: 90°
• β: 96.806 ± 0.004°
• γ: 90°
• Cell volume: 720.56 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No