Information card for entry 4129440

Structure parameters

• Chemical name: 4b
• Formula: C27 H35 F7 N O
• Calculated formula: C27 H35 F7 N O
• SMILES: FC(F)(C(=O)C1N(c2c(cccc2C(C)C)C(C)C)C(C)(C)CC21CCCCC2)C(F)(F)C(F)(F)F
• 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: 8.8071 ± 0.0004 Å
• b: 24.8008 ± 0.0012 Å
• c: 11.5922 ± 0.0005 Å
• α: 90°
• β: 90.095 ± 0.003°
• γ: 90°
• Cell volume: 2532 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1821
• Weighted residual factors for all reflections included in the refinement: 0.1923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No