Information card for entry 1517394

Structure parameters

• Formula: C15 H26 O6
• Calculated formula: C15 H26 O6
• SMILES: O1[C@]2(O[C@@H]([C@@H](OC)[C@H](OC)C2)CO)CCC[C@@]21OCCC2
• Title of publication: An Approach toward Constructing the Trioxadispiroketal Core in the DEF-Ring of (+)-Spirastrellolide A.
• Authors of publication: Wu, Yi-Biao; Tang, Yu; Luo, Guo-Ying; Chen, Yang; Hsung, Richard P.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 17
• Pages of publication: 4550
• a: 8.7271 ± 0.0012 Å
• b: 10.0996 ± 0.0014 Å
• c: 18.599 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1639.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No