Information card for entry 7154983

Structure parameters

• Chemical name: rocaglamide 22a
• Formula: C25 H24 O7 S
• Calculated formula: C25 H24 O7 S
• SMILES: c1(cc(cc2c1[C@]1([C@@]([C@@H]([C@H]([C@H]1O)C(=O)OC)c1ccccc1)(c1cccs1)O2)O)OC)OC.c1(cc(cc2c1[C@@]1([C@]([C@H]([C@@H]([C@@H]1O)C(=O)OC)c1ccccc1)(c1cccs1)O2)O)OC)OC
• Title of publication: Synthesis of rocaglamide derivatives and evaluation of their Wnt signal inhibitory activities.
• Authors of publication: Arai, Midori A.; Kofuji, Yuuki; Tanaka, Yuuki; Yanase, Natsuki; Yamaku, Kazuki; Fuentes, Rolly G.; Karmakar, Utpal Kumar; Ishibashi, Masami
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 3061 - 3068
• a: 9.8131 ± 0.0003 Å
• b: 20.4457 ± 0.0005 Å
• c: 21.4 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4293.6 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No