Information card for entry 7154692

Structure parameters

• Formula: C33 H25 Cl N2 O3 S
• Calculated formula: C33 H25 Cl N2 O3 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: 9.858 ± 0.005 Å
• b: 10.06 ± 0.005 Å
• c: 15.468 ± 0.008 Å
• α: 107.265 ± 0.015°
• β: 98.346 ± 0.015°
• γ: 94.368 ± 0.016°
• Cell volume: 1437.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1205
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No