Information card for entry 7112484

Structure parameters

• Common name: 5AdDACCl2
• Formula: C23 H30 Cl2 N2 O2
• Calculated formula: C23 H30 Cl2 N2 O2
• SMILES: ClC1(N(C(=O)C(=O)N1C12CC3CC(C1)CC(C3)C2)C12CC3CC(C1)CC(C2)C3)Cl
• Title of publication: Reductive generation of stable, five-membered N,N'-diamidocarbenes
• Authors of publication: Jonathan P. Moerdyk; Christopher W. Bielawski
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 4551
• a: 14.331 ± 0.004 Å
• b: 11.335 ± 0.004 Å
• c: 12.768 ± 0.004 Å
• α: 90°
• β: 103.063 ± 0.006°
• γ: 90°
• Cell volume: 2020.4 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0393
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0958
• 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