Information card for entry 4026377

Structure parameters

• Formula: C28 H29 Cl N O4 S
• Calculated formula: C28 H29 Cl N O4 S
• Title of publication: Synthesis of Nine-Membered Azlactones by Palladium-Catalyzed Ring-Expansion of γ-Methylidene-δ-valerolactones with Aziridines
• Authors of publication: Ryo Shintani; Keiichi Ikehata; Tamio Hayashi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 4776 - 4780
• a: 32.1162 ± 0.0006 Å
• b: 15.8781 ± 0.0003 Å
• c: 10.14064 ± 0.00018 Å
• α: 90°
• β: 105.405 ± 0.0008°
• γ: 90°
• Cell volume: 4985.37 ± 0.16 ų
• Cell temperature: 93.1 K
• Ambient diffraction temperature: 93 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No