Information card for entry 4022852

Structure parameters

• Formula: C24 H23 N O4 S2
• Calculated formula: C24 H23 N O4 S2
• Title of publication: Aza-Morita-Baylis-Hillman Reactions and Cyclizations of Conjugated Dienes Activated by Sulfone, Ester, and Keto Groups
• Authors of publication: Jovina M. Sorbetti; Kristen N. Clary; Danica A. Rankic; Jeremy E. Wulff; Masood Parvez; Thomas G. Back
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 3326 - 3331
• a: 10.798 ± 0.003 Å
• b: 16.267 ± 0.005 Å
• c: 13.239 ± 0.003 Å
• α: 90°
• β: 106.329 ± 0.015°
• γ: 90°
• Cell volume: 2231.6 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0665
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No