Information card for entry 2224641

Structure parameters

• Chemical name: (5''<i>E</i>)-1''-Benzyl-1'-methyl-5''-[4-(methylsulfanyl)benzylidene]-4'-[4- (methylsulfanyl)phenyl]dispiro[indoline-3,2'-pyrrolidine-3',3''- piperidine]-2,4''-dione dichloromethane solvate
• Formula: C39 H38 Cl2 N3 O2 S2
• Calculated formula: C39 H38 Cl2 N3 O2 S2
• SMILES: S(c1ccc([C@@H]2CN([C@]3([C@]42C(=O)C(=C\c2ccc(SC)cc2)\CN(C4)Cc2ccccc2)c2ccccc2[N]C3=O)C)cc1)C.ClCCl.S(c1ccc([C@H]2CN([C@@]3([C@@]42C(=O)C(=C\c2ccc(SC)cc2)\CN(C4)Cc2ccccc2)c2ccccc2[N]C3=O)C)cc1)C.ClCCl
• Title of publication: (5''<i>E</i>)-1''-Benzyl-1'-methyl-5''-[4-(methylsulfanyl)benzylidene]-4'-[4-(methylsulfanyl)phenyl]dispiro[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione dichloromethane solvate
• Authors of publication: Hou, Yongjiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o244
• a: 36.456 ± 0.007 Å
• b: 8.6164 ± 0.0017 Å
• c: 26.184 ± 0.005 Å
• α: 90°
• β: 119.58 ± 0.03°
• γ: 90°
• Cell volume: 7153 ± 3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes