Information card for entry 7111725

Structure parameters

• Common name: 6-KetoMes carbene
• Formula: C24 H28 N2 O2
• Calculated formula: C24 H28 N2 O2
• SMILES: N1(c2c(cc(cc2C)C)C)C(=O)C(C(=O)N(c2c(cc(cc2C)C)C)[C]1)(C)C
• 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: 17.7632 ± 0.0014 Å
• b: 16.2017 ± 0.0012 Å
• c: 7.6426 ± 0.0006 Å
• α: 90°
• β: 97.686 ± 0.002°
• γ: 90°
• Cell volume: 2179.7 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No