Information card for entry 1517934

Structure parameters

• Formula: C29 H32 O7
• Calculated formula: C29 H32 O7
• SMILES: c1cc(ccc1CO[C@H]1[C@H]2[C@@H]([C@H](O[C@@H]1CO2)OCc1ccccc1)OCc1ccc(cc1)OC)OC
• Title of publication: Construction of 3,6-Anhydrohexosides via Intramolecular Cyclization of Triflates and Its Application to the Synthesis of Natural Product Isolated from Leaves of Sauropus rostratus.
• Authors of publication: Liu, Long; Wang, Cheng-Qian; Liu, Dan; He, Wei-Gang; Xu, Jin-Yi; Lin, Ai-Jun; Yao, He-Quan; Tanabe, Genzoh; Muraoka, Osamu; Xie, Wei-Jia; Wu, Xiao-Ming
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 19
• Pages of publication: 5004 - 5007
• a: 10.383 ± 0.0011 Å
• b: 10.0793 ± 0.0011 Å
• c: 12.2195 ± 0.0013 Å
• α: 90°
• β: 93.307 ± 0.008°
• γ: 90°
• Cell volume: 1276.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No