Information card for entry 7161162

Structure parameters

• Formula: C23 H32 Cl3 N3 O3
• Calculated formula: C23 H32 Cl3 N3 O3
• Title of publication: Diastereoselective synthesis of 1,4,8-trisubstituted perhydroquinolines as novel kappa receptor agonists
• Authors of publication: Flämig, Lea; Zhu, W. Felix; Hoffmann, Katharina; Daniliuc, Constantin Gabriel; Schepmann, Dirk; Glorius, Frank; Bermúdez, Marcel; Loser, Karin; Wuensch, Bernhard
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2026
• a: 10.2092 ± 0.0004 Å
• b: 11.3885 ± 0.0005 Å
• c: 12.3026 ± 0.0005 Å
• α: 69.271 ± 0.001°
• β: 68.902 ± 0.001°
• γ: 69.006 ± 0.001°
• Cell volume: 1203.64 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No