Information card for entry 8102581

Structure parameters

• Chemical name: 3'''-(2,6-Dichlorophenyl)-1'-methyl-4',4'''-bis-(4-chlorophenyl)-4''',5'''- dihydroindole-3-spiro-2'-pyrrolidine-3'-spiro-1''-cyclopentane-3''-spiro- 5'''-[1,2]oxazole-2(3H),2''-dione hemihydrate
• Formula: C36 H28 Cl4 N3 O3.5
• Calculated formula: C36 H27 Cl4 N3 O3.52
• Title of publication: Crystal structure of 3'''-(2,6-dichlorophenyl)-1'-methyl-4',4'''-bis(4-chlorophenyl)-4''',5'''-dihydroindole-3-spiro-2'-pyrrolidine-3'-spiro-1'- cyclopentane-3''-spiro-5'''-[1,2]oxazole-2(3H),2''-dione hemihydrate, C36H27Cl4N3O3 · 0.5H2O
• Authors of publication: Xun Li; Xiaofang Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 34
• a: 20.844 ± 0.004 Å
• b: 27.28 ± 0.006 Å
• c: 12.031 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6841 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.2061
• Weighted residual factors for all reflections included in the refinement: 0.2118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No