Information card for entry 4129441

Structure parameters

• Chemical name: 4d
• Formula: C37 H43 F5 N O
• Calculated formula: C37 H43 F5 N O
• SMILES: Fc1c(F)c(F)c(F)c(F)c1C(=O)C1N(c2c(C(C)C)cccc2C(C)C)C(CC21CCCCC2)(C)C.c1(ccccc1)C
• Title of publication: Air-persistent monomeric (amino)(carboxy) radicals derived from cyclic (alkyl)(amino) carbenes.
• Authors of publication: Mahoney, Janell K.; Martin, David; Thomas, Fabrice; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 23
• Pages of publication: 7519 - 7525
• a: 21.875 ± 0.004 Å
• b: 8.1455 ± 0.0013 Å
• c: 18.299 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3260.6 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No