Information card for entry 1515113

Structure parameters

• Common name: DACUrea
• Formula: C24 H28 N2 O3
• Calculated formula: C24 H28 N2 O3
• SMILES: N1(C(=O)N(C(=O)C(C1=O)(C)C)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Homonuclear bond activation using a stable N,N′-diamidocarbene
• Authors of publication: Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 2986
• a: 8.005 ± 0.006 Å
• b: 8.772 ± 0.006 Å
• c: 16.048 ± 0.011 Å
• α: 91.431 ± 0.009°
• β: 103.924 ± 0.009°
• γ: 98.836 ± 0.007°
• Cell volume: 1078.5 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1877
• 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