Information card for entry 8102588

Structure parameters

• Formula: C41 H41 Cl2 N3 O2 S2
• Calculated formula: C41 H41 Cl2 N3 O2 S2
• Title of publication: Crystal structure of spiro-[2.3'']oxindole-spiro[3.3']-5'-(4-methylsulfanylphenylmethylidene)-1'-benzyl-4'(1H)-pyridinone-4-(4-methylsulfanylphenyl)hexahydro-1H-pyrrolizine — dichloromethane, C40H39N3O2S2 · CH2Cl2
• Authors of publication: Xun Li; Aiting Zheng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 702
• a: 9.1853 ± 0.0009 Å
• b: 12.8463 ± 0.0012 Å
• c: 17.5594 ± 0.0016 Å
• α: 70.299 ± 0.009°
• β: 77.356 ± 0.01°
• γ: 71.996 ± 0.009°
• Cell volume: 1839.9 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0748
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No