Information card for entry 1511971

Structure parameters

• Formula: C25 H24 Cl N O5 S
• Calculated formula: C25 H24 Cl N O5 S
• SMILES: c1(ccc(cc1)[C@@H]1[C@H]2[C@@H]([C@H](C(=O)OC)N1)[C@@]1([C@@H](CC2=O)Sc2ccccc2)CCC(=O)O1)Cl
• Title of publication: Silver-Catalyzed Enantioselective Desymmetrization: Facile Access to Spirolactone-Pyrrolidines Containing a Spiro Quaternary Stereogenic Center
• Authors of publication: Liu, Kang; Teng, Huai-Long; Yao, Lu; Tao, Hai-Yan; Wang, Chun-Jiang
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 9
• Pages of publication: 2250
• a: 10.2524 ± 0.001 Å
• b: 13.6597 ± 0.0014 Å
• c: 17.1559 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2402.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0521
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No