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Information card for entry 1552449
Preview
Coordinates | 1552449.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H49 N2 P3 |
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Calculated formula | C41 H49 N2 P3 |
SMILES | c1(c2ccc(cc2)C)[n+](c2c(n1c1c(cccc1C(C)C)C(C)C)[P-]P=P2)c1c(cccc1C(C)C)C(C)C.c1cc(C)ccc1 |
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 | 11.1499 ± 0.0005 Å |
b | 17.6614 ± 0.0008 Å |
c | 19.2232 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3785.5 ± 0.3 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 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 | 0.0566 |
Residual factor for significantly intense reflections | 0.0509 |
Weighted residual factors for significantly intense reflections | 0.1214 |
Weighted residual factors for all reflections included in the refinement | 0.1253 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1552449.html
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