Information card for entry 7154982

Structure parameters

• Chemical name: rocaglamide 23c
• Formula: C25 H21 Br O8 S
• Calculated formula: C25 H21 Br O8 S
• SMILES: Brc1sc([C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)[C@H](O)[C@@H]([C@H]3c2ccccc2)C(=O)O)cc1.OC.Brc1sc([C@]23Oc4cc(OC)cc(OC)c4[C@@]2(O)[C@@H](O)[C@H]([C@@H]3c2ccccc2)C(=O)O)cc1.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: 11.1283 ± 0.0003 Å
• b: 29.5193 ± 0.0007 Å
• c: 7.79325 ± 0.00019 Å
• α: 90°
• β: 108.307 ± 0.0017°
• γ: 90°
• Cell volume: 2430.51 ± 0.11 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.3993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No