Information card for entry 7111727

Structure parameters

• Common name: 6-KetoMes-OEt
• Formula: C26 H34 N2 O3
• Calculated formula: C26 H34 N2 O3
• SMILES: O(C1N(C(=O)C(C(=O)N1c1c(cc(cc1C)C)C)(C)C)c1c(cc(cc1C)C)C)CC
• Title of publication: Ammonia N‒H activation by a N,N′-diamidocarbene
• Authors of publication: Hudnall, Todd W.; Moerdyk, Jonathan P.; Bielawski, Christopher W.
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 24
• Pages of publication: 4288 - 4290
• a: 15.69 ± 0.003 Å
• b: 8.4031 ± 0.0016 Å
• c: 18.318 ± 0.004 Å
• α: 90°
• β: 92.84 ± 0.004°
• γ: 90°
• Cell volume: 2412.2 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1223
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No