Information card for entry 4026868

Structure parameters

• Formula: C17 H18 O5
• Calculated formula: C17 H18 O5
• SMILES: o1c(=O)ccc2cc3[C@@H]4[C@H](C(Oc3cc12)(C)C)OC(O4)(C)C
• Title of publication: Enantioselective Total Synthesis of (+)-Scuteflorin A Using Organocatalytic Asymmetric Epoxidation
• Authors of publication: Christopher J. Bartlett; David P. Day; Yohan Chan; Steven M. Allin; Michael J. McKenzie; Alexandra M. Z. Slawin; Philip C. Bulman Page
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 772 - 774
• a: 23.18 ± 0.03 Å
• b: 5.353 ± 0.006 Å
• c: 12.036 ± 0.013 Å
• α: 90°
• β: 90.93 ± 0.03°
• γ: 90°
• Cell volume: 1493 ± 3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.2189
• Residual factor for significantly intense reflections: 0.1817
• Weighted residual factors for significantly intense reflections: 0.4014
• Weighted residual factors for all reflections included in the refinement: 0.4379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No