Information card for entry 4067003

Structure parameters

• Common name: 7-KetoMes-carbene
• Formula: C33 H32 N2 O2
• Calculated formula: C33 H32 N2 O2
• Title of publication: A Seven-MemberedN,N′-Diamidocarbene
• Authors of publication: Hudnall, Todd W.; Tennyson, Andrew G.; Bielawski, Christopher W.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 20
• Pages of publication: 4569
• a: 9.1242 ± 0.0006 Å
• b: 14.8492 ± 0.0009 Å
• c: 20.9679 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2840.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1369
• 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: Yes
• Has Fobs: No