Information card for entry 4026986

Structure parameters

• Formula: C18 H30 Cl2 N2 O6 S
• Calculated formula: C18 H30 Cl2 N2 O6 S
• Title of publication: Palladium-Catalyzed Intramolecular Diamination of Acrylic Esters Using Sulfamates as Nitrogen Source
• Authors of publication: Patricia Chávez; Jonathan Kirsch; Jan Streuff; Kilian Muñiz
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 1922 - 1930
• a: 10.5604 ± 0.0008 Å
• b: 13.471 ± 0.001 Å
• c: 16.7672 ± 0.0012 Å
• α: 90.305 ± 0.002°
• β: 91.642 ± 0.002°
• γ: 102.887 ± 0.002°
• Cell volume: 2324.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No