Information card for entry 7152845

Structure parameters

• Chemical name: 2-(2-Methylphenylimino)-1,3-thiaselenane
• Formula: C11 H13 N S Se
• Calculated formula: C11 H13 N 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: 8.376 ± 0.002 Å
• b: 13.152 ± 0.003 Å
• c: 11.24 ± 0.003 Å
• α: 90°
• β: 104.024 ± 0.004°
• γ: 90°
• Cell volume: 1201.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0539
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No