Information card for entry 7106422

Structure parameters

• Formula: C24 H35 Cl N8 O7
• Calculated formula: C24 H35 Cl N8 O7
• SMILES: [Cl-].n1c2cc(N)c(N)cc2[nH+]c2c1cccc2.n1c2cc(N)c(N)cc2nc2c1cccc2.O.O.O.O.O.O.O
• Title of publication: Oxidative Dehydrocoupling of N-H Bonds Using a Redox-Active Main Group Superbase
• Authors of publication: R.J.Less; V.Naseri; M.McPartlin; D.S.Wright
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 6129
• a: 7.0826 ± 0.0002 Å
• b: 12.5439 ± 0.0004 Å
• c: 16.0868 ± 0.0006 Å
• α: 82.669 ± 0.001°
• β: 78.708 ± 0.002°
• γ: 84.163 ± 0.002°
• Cell volume: 1385.75 ± 0.08 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1147
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.2071
• Weighted residual factors for all reflections included in the refinement: 0.2367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No