Information card for entry 2224835

Structure parameters

• Chemical name: 1'-Benzyl-4,4''-bis(4-chlorophenyl)-3-(2,6-dichlorophenyl)-1''-methyl-4,5- dihydroisoxazole-5-spiro-3'-piperidine-5'-spiro-3''-pyrrolidine-2''- spiro-3'''-indoline-2''',4'-dione
• Formula: C43 H34 Cl4 N4 O3
• Calculated formula: C43 H34 Cl4 N4 O3
• SMILES: Clc1ccc(cc1)[C@@H]1C(=NO[C@@]21CN(Cc1ccccc1)C[C@]1(C2=O)[C@@H](CN([C@@]21C(=O)Nc1c2cccc1)C)c1ccc(cc1)Cl)c1c(Cl)cccc1Cl.Clc1ccc(cc1)[C@H]1C(=NO[C@]21CN(Cc1ccccc1)C[C@@]1(C2=O)[C@H](CN([C@]21C(=O)Nc1c2cccc1)C)c1ccc(cc1)Cl)c1c(Cl)cccc1Cl
• Title of publication: 1'-Benzyl-4,4''-bis(4-chlorophenyl)-3-(2,6-dichlorophenyl)-1''-methyl-4,5-dihydroisoxazole-5-spiro-3'-piperidine-5'-spiro-3''-pyrrolidine-2''-spiro-3'''-indoline-2''',4'-dione
• 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: o139
• a: 25.588 ± 0.005 Å
• b: 8.8028 ± 0.0018 Å
• c: 33.195 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7477 ± 3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes