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Information card for entry 4131663
Preview
Coordinates | 4131663.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H34 Mn N2 O2 P |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/4131663.html
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