Information card for entry 4037391

Structure parameters

• Formula: C13 H13 Cl3 N2 O2
• Calculated formula: C13 H13 Cl3 N2 O2
• SMILES: ClC(Cl)(Cl)C(=N)Nc1c(/C=C/C(=O)OCC)cccc1
• Title of publication: Cp*Rh(III)-Catalyzed Low Temperature C-H Allylation of N-Aryl-trichloro Acetimidamide.
• Authors of publication: Debbarma, Suvankar; Bera, Sourav Sekhar; Maji, Modhu Sudan
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 23
• Pages of publication: 11716 - 11725
• a: 6.206 ± 0.005 Å
• b: 10.587 ± 0.005 Å
• c: 22.58 ± 0.005 Å
• α: 90°
• β: 93.376 ± 0.005°
• γ: 90°
• Cell volume: 1481 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0927
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.2051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No