Information card for entry 7156346

Structure parameters

• Formula: C24 H19 I N2 O S
• Calculated formula: C24 H19 I N2 O S
• Title of publication: Metal-free multicomponent cascade reactions of homopropargylic amines and acyl chlorides as well as potassium thiocyanate and diiodine: an access to thiazine imides.
• Authors of publication: Wu, Jing; Kong, Yuanfang; Liu, Lingyan; Chang, Weixing; Li, Jing
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 33
• Pages of publication: 5955 - 5959
• a: 8.6049 ± 0.0017 Å
• b: 11.226 ± 0.002 Å
• c: 12.391 ± 0.003 Å
• α: 113.15 ± 0.03°
• β: 98.39 ± 0.03°
• γ: 96.47 ± 0.03°
• Cell volume: 1069.6 ± 0.5 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: 0.0419
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No