Information card for entry 1507552

Structure parameters

• Formula: C10 H14 O3
• Calculated formula: C10 H14 O3
• SMILES: O=C1C[C@@H]([C@](C=C1)(C(=O)OC)C)C.O=C1C[C@H]([C@@](C=C1)(C(=O)OC)C)C
• Title of publication: A Formal Total Synthesis of Dysidiolide
• Authors of publication: Paczkowski, Ralph; Maichle-Mössmer, Cäcilia; Maier, Martin E.
• Journal of publication: Organic Letters
• Year of publication: 2000
• Journal volume: 2
• Journal issue: 25
• Pages of publication: 3967
• a: 24.808 ± 0.002 Å
• b: 5.9534 ± 0.0005 Å
• c: 13.2719 ± 0.0008 Å
• α: 90°
• β: 96.887 ± 0.006°
• γ: 90°
• Cell volume: 1946 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No