Information card for entry 1514474

Structure parameters

• Formula: C15 H18 O6
• Calculated formula: C15 H18 O6
• SMILES: O[C@H]1C(=O)[C@]23[C@]4([C@]1(C)C=C[C@]3(C)[C@H](C4=O)O)OC(O2)(C)C.O[C@@H]1C(=O)[C@@]23[C@@]4([C@@]1(C)C=C[C@@]3(C)[C@@H](C4=O)O)OC(O2)(C)C
• Title of publication: Symmetry-driven synthesis of 9-demethyl-10,15-dideoxyryanodol
• Authors of publication: Urabe, Daisuke; Nagatomo, Masanori; Hagiwara, Koji; Masuda, Kengo; Inoue, Masayuki
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 1615
• a: 13.7664 ± 0.001 Å
• b: 9.367 ± 0.0007 Å
• c: 10.8858 ± 0.0008 Å
• α: 90°
• β: 99.268 ± 0.003°
• γ: 90°
• Cell volume: 1385.4 ± 0.18 ų
• Cell temperature: 150 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No