Information card for entry 4514217

Structure parameters

• Formula: C18 H13 Cl2 N O
• Calculated formula: C18 H13 Cl2 N O
• Title of publication: Ketene Aminal Phosphates: Competent Substrates for Enantioselective Pd(0)-Catalyzed C‒H Functionalizations
• Authors of publication: Grosheva, Daria; Cramer, Nicolai
• Journal of publication: ACS Catalysis
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 11
• Pages of publication: 7417
• a: 4.7873 ± 0.0001 Å
• b: 12.3631 ± 0.0002 Å
• c: 25.26 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1495.04 ± 0.05 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No