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Information card for entry 4026667
Preview
Coordinates | 4026667.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H43 N5 O4 |
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Calculated formula | C26 H43 N5 O4 |
SMILES | OC(=O)[C@@H](C(=O)[O-])C#N.n1(c[n+](cc1)C(C)(C)C)C(C)(C)C.n1(c[n+](cc1)C(C)(C)C)C(C)(C)C |
Title of publication | Imidazolidene Carboxylate Bound MBPh4 Complexes (M = Li, Na) and Their Relevance in Transcarboxylation Reactions |
Authors of publication | Bret R. Van Ausdall; Nils F. Poth; Virginia A. Kincaid; Atta M. Arif; Janis Louie |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 8413 - 8420 |
a | 10.7435 ± 0.0002 Å |
b | 11.5651 ± 0.0002 Å |
c | 22.3115 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2772.2 ± 0.09 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0624 |
Residual factor for significantly intense reflections | 0.0431 |
Weighted residual factors for significantly intense reflections | 0.0871 |
Weighted residual factors for all reflections included in the refinement | 0.0956 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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