Information card for entry 1507615

Structure parameters

• Formula: C12 H18 O4
• Calculated formula: C12 H18 O4
• SMILES: O1[C@]2(CC[C@@H]3OC(=O)[C@@H]([C@@]1(O)[C@@H]3C)CC2)C
• Title of publication: Asymmetric and Highly Stereoselective Synthesis of the DEF-Ring Moiety of (-)-FR182877 and Its Derivative Inducing Mitotic Arrest.
• Authors of publication: Kobayakawa, Yu; Mori, Yusuke; Okajima, Hideki; Terada, Yasuhiko; Nakada, Masahisa
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2086 - 2089
• a: 7.3341 ± 0.0003 Å
• b: 10.3949 ± 0.0004 Å
• c: 14.8921 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1135.33 ± 0.09 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No