Information card for entry 4078156

Structure parameters

• Common name: MAAC
• Formula: C31.5 H48 N2 O
• Calculated formula: C24 H30 N2 O
• SMILES: N1([C]N(CC(C1=O)(C)C)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Tuning the Electronic Properties of Carbenes: A Systematic Comparison of Neighboring Amino versus Amido Groups
• Authors of publication: Blake, Garrett A.; Moerdyk, Jonathan P.; Bielawski, Christopher W.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 3373
• a: 33.59 ± 0.003 Å
• b: 33.59 ± 0.003 Å
• c: 13.3249 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13020 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.1299
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No