Information card for entry 4131662

Structure parameters

• Formula: C21 H35 Br Mn N2 O2 P
• Calculated formula: C21 H35 Br Mn N2 O2 P
• 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: 12.6861 ± 0.0015 Å
• b: 14.7681 ± 0.0018 Å
• c: 13.3305 ± 0.0015 Å
• α: 90°
• β: 108.111 ± 0.005°
• γ: 90°
• Cell volume: 2373.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No