Information card for entry 4028481

Structure parameters

• Formula: C23 H26 O7
• Calculated formula: C23 H26 O7
• SMILES: [C@@H]1([C@@H]([C@H]([C@@H](C(=C1)C=O)O)OCc1ccc(cc1)OC)O)OCc1ccc(cc1)OC.[C@H]1([C@H]([C@@H]([C@H](C(=C1)C=O)O)OCc1ccc(cc1)OC)O)OCc1ccc(cc1)OC
• Title of publication: Vinylogy in Orthoester Hydrolysis: Total Syntheses of Cyclophellitol, Valienamine, Gabosine K, Valienone, Gabosine G, 1-epi-Streptol, Streptol, and Uvamalol A
• Authors of publication: Soumik Mondal; Annamalai Prathap; Kana M. Sureshan
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 7690 - 7700
• a: 6.6202 ± 0.0002 Å
• b: 11.2051 ± 0.0005 Å
• c: 28.4745 ± 0.0012 Å
• α: 90°
• β: 90.7 ± 0.002°
• γ: 90°
• Cell volume: 2112.08 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1698
• Weighted residual factors for all reflections included in the refinement: 0.2083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No