Information card for entry 4121334

Structure parameters

• Formula: C30 H40 N O
• Calculated formula: C30 H40 N O
• SMILES: O=C(C1N(C(CC21CCCCC2)(C)C)c1c(cccc1C(C)C)C(C)C)c1ccccc1
• 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: 12.4627 ± 0.0012 Å
• b: 14.7071 ± 0.0018 Å
• c: 27.878 ± 0.003 Å
• α: 90°
• β: 95.428 ± 0.005°
• γ: 90°
• Cell volume: 5086.9 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0853
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• 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: No
• Has Fobs: No