Information card for entry 4121335

Structure parameters

• Formula: C56 H82 Cl8 N2 O2
• Calculated formula: C56 H82 Cl8 N2 O2
• Title of publication: Bottleable (Amino)(Carboxy) Radicals Derived from Cyclic (Alkyl)(Amino) Carbenes
• Authors of publication: Janell K. Mahoney; David Martin; Curtis E. Moore; Arnold L. Rheingold; Guy Bertrand
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 18766 - 18769
• a: 14.936 ± 0.008 Å
• b: 11.904 ± 0.008 Å
• c: 34.07 ± 0.02 Å
• α: 90°
• β: 96.695 ± 0.014°
• γ: 90°
• Cell volume: 6016 ± 6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1869
• Residual factor for significantly intense reflections: 0.122
• Weighted residual factors for significantly intense reflections: 0.3416
• Weighted residual factors for all reflections included in the refinement: 0.3818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.31
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No