Information card for entry 7131456

Structure parameters

• Formula: C14 H15 N O S2
• Calculated formula: C14 H15 N O S2
• Title of publication: Cu(I)-catalysed cross-coupling reaction of <i>in situ</i> generated azomethine ylides towards easy construction of fused N-heterocycles.
• Authors of publication: Molla, Sabir A.; Ghosh, Debasish; Basak, Ankur; Khamarui, Saikat; Maiti, Dilip K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 31
• Pages of publication: 4664 - 4667
• a: 15.095 ± 0.009 Å
• b: 7.738 ± 0.005 Å
• c: 11.649 ± 0.007 Å
• α: 90°
• β: 91.42 ± 0.02°
• γ: 90°
• Cell volume: 1360.2 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No