Information card for entry 7111724

Structure parameters

• Common name: 6-KetoMes-HCl
• Formula: C24 H29 Cl N2 O2
• Calculated formula: C24 H29 Cl N2 O2
• SMILES: ClC1N(C(=O)C(C(=O)N1c1c(cc(cc1C)C)C)(C)C)c1c(cc(cc1C)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: 8.3918 ± 0.0012 Å
• b: 17.082 ± 0.002 Å
• c: 15.992 ± 0.002 Å
• α: 90°
• β: 102.394 ± 0.002°
• γ: 90°
• Cell volume: 2239 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0608
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1696
• Weighted residual factors for all reflections included in the refinement: 0.1772
• 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