Information card for entry 4125405

Structure parameters

• Formula: C20 H34 O5
• Calculated formula: C20 H34 O5
• SMILES: O=C(O)[C@]1([C@@H]2[C@@]([C@H]3[C@@]4(C[C@](O)(C)[C@@H](C4)CC3)[C@H](O)C2)(C)CCC1)C.O
• Title of publication: Biosynthetic Origin of the Ether Ring in Platensimycin.
• Authors of publication: Rudolf, Jeffrey D.; Dong, Liao-Bin; Manoogian, Karina; Shen, Ben
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 51
• Pages of publication: 16711 - 16721
• a: 11.4951 ± 0.0008 Å
• b: 6.5903 ± 0.0005 Å
• c: 12.7868 ± 0.0009 Å
• α: 90°
• β: 105.513 ± 0.003°
• γ: 90°
• Cell volume: 933.39 ± 0.12 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0548
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No