Information card for entry 1557312

Structure parameters

• Common name: Sigillin F
• Formula: C12 H14 Cl6 O5
• Calculated formula: C12 H14 Cl6 O5
• SMILES: C1(=O)[C@]2([C@](C[C@H](C(Cl)(Cl)Cl)O1)([C@@H](C[C@H]([C@H]2O)C(Cl)(Cl)Cl)O)O)C
• Title of publication: Sigillins from Springtails Are Potent Natural Insecticides.
• Authors of publication: Steinbiss, Michael; Maczka, Michael; Langewald, Juergen; London, Brecht; Vallinayagam, Ramakrishnan; Jones, Peter G.; Bastiaans, Harold; Schulz, Stefan
• Journal of publication: Journal of natural products
• Year of publication: 2020
• Journal volume: 83
• Journal issue: 2
• Pages of publication: 468 - 472
• a: 8.98338 ± 0.00013 Å
• b: 8.98338 ± 0.00013 Å
• c: 20.8299 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1681 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No