Information card for entry 7124596

Structure parameters

• Common name: 6MACdippCHinsertion
• Formula: C21 H31 N O
• Calculated formula: C21 H31 N O
• Title of publication: A cyclic (alkyl)(amido)carbene: synthesis, study and utility as a desulfurization reagent.
• Authors of publication: McCarty, Zachary R.; Lastovickova, Dominika N.; Bielawski, Christopher W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 31
• Pages of publication: 5447 - 5450
• a: 8.9044 ± 0.0005 Å
• b: 11.5431 ± 0.0006 Å
• c: 17.771 ± 0.0008 Å
• α: 90°
• β: 92.232 ± 0.003°
• γ: 90°
• Cell volume: 1825.2 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0464
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No