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Information card for entry 4517447
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Coordinates | 4517447.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | lm1mfm579F(619) - 19MCD00 |
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Formula | C43 H48 Cl2 N6 O12 Pd2 S2 |
Calculated formula | C43 H48 Cl2 N6 O12 Pd2 S2 |
Title of publication | Palladium-Catalyzed Formal (4+2) Cycloaddition between Alkyl Amides and Dienes Initiated by the Activation of C(sp3)‒H Bonds |
Authors of publication | Cendón, Borja; Font, Marc; Mascareñas, José L.; Gul\?ías, Moisés |
Journal of publication | ACS Catalysis |
Year of publication | 2020 |
Pages of publication | 3425 - 3430 |
a | 10.69 ± 0.0005 Å |
b | 11.3617 ± 0.0005 Å |
c | 11.7062 ± 0.0005 Å |
α | 62.2925 ± 0.0014° |
β | 85.46 ± 0.0017° |
γ | 73.2316 ± 0.0016° |
Cell volume | 1202.7 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0553 |
Residual factor for significantly intense reflections | 0.0417 |
Weighted residual factors for significantly intense reflections | 0.0704 |
Weighted residual factors for all reflections included in the refinement | 0.0757 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4517447.html
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