Information card for entry 7103857

Structure parameters

• Common name: 5-(2,5-Dimethyl-phenyl)-3,3-diphenyl-1-thia-5-aza- spiro(3.4)octan-6-one
• Formula: C29 H32 N O S
• Calculated formula: C29 H25 N O S
• Title of publication: Diastereoselective Photocycloaddition of Axially Chiral Monothiosuccinimides to 1,1-Diphenylethylene
• Authors of publication: Masami Sakamoto; Tsutomu Fujita; Takashi Mino; Tomoko Ohtake; Ayako Saitoh; Masaki Shigekura
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• a: 9.851 ± 0.003 Å
• b: 9.336 ± 0.002 Å
• c: 27.569 ± 0.009 Å
• α: 90°
• β: 107.6 ± 0.09°
• γ: 90°
• Cell volume: 2417.1 ± 1.2 ų
• Cell temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for all reflections: 0.186
• Weighted residual factors for significantly intense reflections: 0.184
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections: 1.521
• Goodness-of-fit parameter for significantly intense reflections: 1.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No