Information card for entry 4131663

Structure parameters

• Formula: C21 H34 Mn N2 O2 P
• Calculated formula: C21 H34 Mn N2 O2 P
• SMILES: [Mn]12(P(=Cc3[n]1c(C[N]2(CC)CC)ccc3)(C(C)(C)C)C(C)(C)C)(C#[O])C#[O]
• Title of publication: Synthesis of Cyclic Imides by Acceptorless Dehydrogenative Coupling of Diols and Amines Catalyzed by a Manganese Pincer Complex.
• Authors of publication: Espinosa-Jalapa, Noel Angel; Kumar, Amit; Leitus, Gregory; Diskin-Posner, Yael; Milstein, David
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 34
• Pages of publication: 11722 - 11725
• a: 14.1304 ± 0.0015 Å
• b: 14.4105 ± 0.0014 Å
• c: 11.1726 ± 0.0012 Å
• α: 90°
• β: 96.228 ± 0.003°
• γ: 90°
• Cell volume: 2261.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No