Information card for entry 4131564

Structure parameters

• Common name: HL115
• Formula: C17 H26 O2 S
• Calculated formula: C17 H26 O2 S
• SMILES: S1[C@H]([C@]2([C@@H]3/C(=C\C)C[C@H]([C@@H]3[C@H]2[C@@H]1C)CC)C(=O)OC)C.S1[C@@H]([C@@]2([C@H]3/C(=C\C)C[C@@H]([C@H]3[C@@H]2[C@H]1C)CC)C(=O)OC)C
• Title of publication: Thiocarbonyl Ylide Chemistry Enables a Concise Synthesis of (±)-Hippolachnin A.
• Authors of publication: Winter, Nils; Trauner, Dirk
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 34
• Pages of publication: 11706 - 11709
• a: 13.4104 ± 0.0004 Å
• b: 9.3905 ± 0.0003 Å
• c: 13.447 ± 0.0003 Å
• α: 90°
• β: 105.038 ± 0.001°
• γ: 90°
• Cell volume: 1635.39 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No