Information card for entry 1555966

Structure parameters

• Formula: C27 H22 Cl N O5 S
• Calculated formula: C27 H22 Cl N O5 S
• Title of publication: Construction of Polycyclic γ-Lactams and Related Heterocycles via Electron Catalysis.
• Authors of publication: Xuan, Jun; Daniliuc, Constantin G.; Studer, Armido
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 24
• Pages of publication: 6372 - 6375
• a: 10.9967 ± 0.0003 Å
• b: 16.5944 ± 0.0004 Å
• c: 25.1871 ± 0.0005 Å
• α: 90°
• β: 91.593 ± 0.001°
• γ: 90°
• Cell volume: 4594.46 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0467
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No