Information card for entry 7154697

Structure parameters

• Formula: C35 H28 Cl3 F N2 O4 S
• Calculated formula: C35 H28 Cl3 F N2 O4 S
• Title of publication: Diastereoselective synthesis of spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indolines] via cycloaddition reaction of N-phenacylbenzothiazolium bromides and 3-methyleneoxindoles.
• Authors of publication: Shen, Guo-Liang; Sun, Jing; Yan, Chao-Guo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 44
• Pages of publication: 10929 - 10938
• a: 10.8287 ± 0.0012 Å
• b: 12.2767 ± 0.0012 Å
• c: 14.9417 ± 0.0016 Å
• α: 70.307 ± 0.003°
• β: 71.694 ± 0.003°
• γ: 64.943 ± 0.003°
• Cell volume: 1659.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No