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Information card for entry 1552450
Preview
Coordinates | 1552450.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H47 Fe N2 O4 P3 |
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Calculated formula | C44 H47 Fe N2 O4 P3 |
SMILES | [O]#C[Fe](C#[O])(C#[O])(C#[O])P1P=C2C(N(C(c3ccccc3)=[N+]2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)=P1.c1(ccccc1)C |
Title of publication | Direct functionalization of white phosphorus with anionic dicarbenes and mesoionic carbenes: Facile access to 1,2,3-triphosphol-2-ides |
Authors of publication | Ghadwal, Rajendra S.; Rottschäfer, Dennis; Blomeyer, Sebastian; Neumann, Beate; Stammler, Georg |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 10.9413 ± 0.0002 Å |
b | 23.5902 ± 0.0004 Å |
c | 16.2953 ± 0.0003 Å |
α | 90° |
β | 96.991 ± 0.002° |
γ | 90° |
Cell volume | 4174.67 ± 0.13 Å3 |
Cell temperature | 100.01 ± 0.1 K |
Ambient diffraction temperature | 100.01 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0482 |
Residual factor for significantly intense reflections | 0.0344 |
Weighted residual factors for significantly intense reflections | 0.0756 |
Weighted residual factors for all reflections included in the refinement | 0.0823 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation probe | x-ray |
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/1552450.html
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Users of the data should acknowledge the original authors of the
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