Information card for entry 2239053

Structure parameters

• Chemical name: (4<i>S</i>)-5'-Chloro-3,7,7-trimethyl-5,6,7,8-tetrahydro-4<i>H</i>-spiro[1,2-oxazolo[5,4-<i>b</i>]quinoline-4,3'-indole]-2',5-dione
• Formula: C20 H18 Cl N3 O3
• Calculated formula: C20 H18 Cl N3 O3
• SMILES: c1(ccc2c(C3(C(=O)N2)c2c(C)noc2NC2=C3C(=O)CC(C2)(C)C)c1)Cl
• Title of publication: (4<i>S</i>)-5'-Chloro-3,7,7-trimethyl-5,6,7,8-tetrahydro-4<i>H</i>-spiro[1,2-oxazolo[5,4-<i>b</i>]quinoline-4,3'-indole]-2',5-dione
• Authors of publication: Govindan, E.; Yuvaraj, PanneerSelvam; Reddy, Boreddy Siva Rami; Premalatha, K.; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o173
• a: 17.932 ± 0.0007 Å
• b: 11.112 ± 0.0004 Å
• c: 18.5968 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3705.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1335
• 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: Yes