Information card for entry 7156860

Structure parameters

• Chemical name: (2'S,3R,3'S)-3'-(4-bromophenyl)-2''-phenyl-4''H-dispiro[indoline-3,1'-cyclopropane-2',5''-thiazole]-2,4''-dione
• Formula: C24 H15 Br N2 O2 S
• Calculated formula: C24 H15 Br N2 O2 S
• Title of publication: Asymmetric synthesis of spirooxindole-fused spirothiazolones via squaramide-catalysed reaction of 3-chlorooxindoles with 5-alkenyl thiazolones.
• Authors of publication: Song, Yong-Xing; Du, Da-Ming
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 21
• Pages of publication: 5375 - 5380
• a: 8.8036 ± 0.0018 Å
• b: 10.75 ± 0.002 Å
• c: 11.597 ± 0.002 Å
• α: 74.87 ± 0.03°
• β: 89.66 ± 0.03°
• γ: 71.84 ± 0.03°
• Cell volume: 1003.3 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.15 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: 0.0421
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No