Information card for entry 4110852

Structure parameters

• Formula: C18 H27 N O2 S
• Calculated formula: C18 H27 N O2 S
• Title of publication: Discovery of a Solid Solution of Enantiomers in a Racemate-Forming System by Seeding
• Authors of publication: Jun Huang; Shuang Chen; Ilia A. Guzei; Lian Yu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 11985 - 11992
• a: 9.2106 ± 0.0007 Å
• b: 10.9363 ± 0.0007 Å
• c: 17.6476 ± 0.0008 Å
• α: 90°
• β: 93.331 ± 0.002°
• γ: 90°
• Cell volume: 1774.64 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0847
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No