Information card for entry 7111726

Structure parameters

• Common name: 6-KetoMes-NH3
• Formula: C24.5 H32 Cl N3 O2
• Calculated formula: C24.5 H32 Cl N3 O2
• 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: 15.7619 ± 0.0011 Å
• b: 25.7674 ± 0.0018 Å
• c: 11.6636 ± 0.0009 Å
• α: 90°
• β: 92.97 ± 0.002°
• γ: 90°
• Cell volume: 4730.7 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1637
• 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