Information card for entry 4029540

Structure parameters

• Formula: C12 H14 Cu N4 O5 S2
• Calculated formula: C12 H14 Cu0.955 N4 O5 S2
• Title of publication: Copper-nitrenoid formation and transfer in catalytic olefin aziridination utilizing chelating 2-pyridylsulfonyl moieties.
• Authors of publication: Han, Hoon; Park, Seong Byeong; Kim, Sang Kyu; Chang, Sukbok
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2008
• Journal volume: 73
• Journal issue: 7
• Pages of publication: 2862 - 2870
• a: 7.243 ± 0.002 Å
• b: 15.003 ± 0.005 Å
• c: 15.073 ± 0.005 Å
• α: 90°
• β: 94.955 ± 0.006°
• γ: 90°
• Cell volume: 1631.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1163
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No