Information card for entry 1559435

Structure parameters

• Formula: C18 H24 Cl6 N2 O4
• Calculated formula: C18 H24 Cl6 N2 O4
• SMILES: ClC(Cl)(Cl)CC[C@H]1N(C(=O)C=C1OC)C(=O)[C@H](NC(=O)C(C)(C)C)CCC(Cl)(Cl)Cl
• Title of publication: Structure‒Activity Relationships for the Marine Natural Product Sintokamides: Androgen Receptor N-Terminus Antagonists of Interest for Treatment of Metastatic Castration-Resistant Prostate Cancer
• Authors of publication: Yan, Luping; Banuelos, Carmen A.; Mawji, Nasrin R.; Patrick, Brian O.; Sadar, Marianne D.; Andersen, Raymond J.
• Journal of publication: Journal of Natural Products
• Year of publication: 2020
• a: 9.6181 ± 0.0007 Å
• b: 11.8325 ± 0.001 Å
• c: 21.1656 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2408.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No