Information card for entry 4101349

Structure parameters

• Formula: C14 H25 N O8 S
• Calculated formula: C14 H25 N O8 S
• SMILES: S(=O)(=O)(N1C(=C(CC(OC)(OC)C1(OC)OC)C)C(=O)OCC)C
• Title of publication: Total synthesis of piericidin A1 and B1 and key analogues.
• Authors of publication: Schnermann, Martin J; Romero, F Anthony; Hwang, Inkyu; Nakamaru-Ogiso, Eiko; Yagi, Takao; Boger, Dale L
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 36
• Pages of publication: 11799 - 11807
• a: 10.574 ± 0.002 Å
• b: 15.982 ± 0.003 Å
• c: 10.753 ± 0.002 Å
• α: 90°
• β: 92.79 ± 0.03°
• γ: 90°
• Cell volume: 1815.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No