Information card for entry 2240301

Structure parameters

• Chemical name: <i>N</i>-[(2<i>S</i>,5<i>R</i>)-4-Oxo-2,3-diphenyl-1,3-thiazinan-5-yl]acetamide 0.375-hydrate
• Formula: C36 H36 N4 O4.75 S2
• Calculated formula: C36 H36 N4 O4.75 S2
• Title of publication: Crystal structure of <i>N</i>-[(2<i>S</i>,5<i>R</i>)-4-oxo-2,3-diphenyl-1,3-thiazinan-5-yl]acetamide 0.375-hydrate
• Authors of publication: Yennawar, Hemant P.; Singh, Harnoor; Silverberg, Lee J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• Pages of publication: 62 - 64
• a: 13.3438 ± 0.0012 Å
• b: 13.3438 ± 0.0012 Å
• c: 40.237 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7164.5 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.198
• Weighted residual factors for all reflections included in the refinement: 0.216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes