Information card for entry 7220047

Structure parameters

• Formula: C25 H25 Br N2 O2 S2
• Calculated formula: C25 H25 Br N2 O2 S2
• SMILES: Brc1ccc([C@H]2[C@@H]([C@]3(N4[C@@H]2CCC4)C(=O)Nc2c3cccc2)C(=O)C=C(SC)SC)cc1.Brc1ccc([C@@H]2[C@H]([C@@]3(N4[C@H]2CCC4)C(=O)Nc2c3cccc2)C(=O)C=C(SC)SC)cc1
• Title of publication: One-pot chemo/regio/stereoselective generation of library of functionalized spiro-oxindoles/pyrrolizines/pyrrolidines from α‒aroylidineketene dithioacetals
• Authors of publication: SHANMUGAM, SIVAKUMAR; Pandi, Dhanalakshmi; Seenivasagaperumal, Sriram Babu; Thimmarayaperumal, Solaimalai
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 10.1343 ± 0.0015 Å
• b: 11.2188 ± 0.0015 Å
• c: 12.5542 ± 0.0019 Å
• α: 78.184 ± 0.008°
• β: 70.207 ± 0.008°
• γ: 73.573 ± 0.008°
• Cell volume: 1278.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0181
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No