Information card for entry 7153240

Structure parameters

• Formula: C12 H20 O5
• Calculated formula: C12 H20 O5
• SMILES: O1C(=O)CC[C@H](O)C=C[C@H](O)[C@H](O)[C@H]1CCC
• Title of publication: Effect of the allylic substituents on ring closing metathesis: the total synthesis of stagonolide B and 4-epi-stagonolide B.
• Authors of publication: Giri, Awadut G.; Mondal, Mohabul A.; Puranik, Vedavati G.; Ramana, Chepuri V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 398 - 406
• a: 16.861 ± 0.015 Å
• b: 4.981 ± 0.004 Å
• c: 16.109 ± 0.014 Å
• α: 90°
• β: 112.087 ± 0.014°
• γ: 90°
• Cell volume: 1253.6 ± 1.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.149
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1731
• Goodness-of-fit parameter for all reflections included in the refinement: 0.835
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No