Information card for entry 7152847

Structure parameters

• Chemical name: 2-Methoxy-N-phenyl-2-(1,3-thiaselenan-2-ylidene)acetamide
• Formula: C13 H15 N O2 S Se
• Calculated formula: C13 H15 N O2 S Se
• Title of publication: The Staudinger reaction with 2-imino-1,3-thiaselenanes toward the synthesis of C4 spiro-β-lactams.
• Authors of publication: Toyoda, Yosuke; Ninomiya, Masayuki; Ebihara, Masahiro; Koketsu, Mamoru
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 16
• Pages of publication: 2652 - 2659
• a: 12.283 ± 0.005 Å
• b: 5.835 ± 0.002 Å
• c: 19.052 ± 0.008 Å
• α: 90°
• β: 91.933 ± 0.006°
• γ: 90°
• Cell volume: 1364.7 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1271
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1822
• Weighted residual factors for all reflections included in the refinement: 0.2658
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No