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Information card for entry 7040032
Preview
Coordinates | 7040032.cif |
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Original paper (by DOI) | HTML |
Formula | C53 H76 N4 P2 S2 |
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Calculated formula | C53 H76 N4 P2 S2 |
SMILES | S(P1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C(=S)P1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C |
Title of publication | Reactions of a persistent phosphinyl radical/diphosphine with heteroallenes. |
Authors of publication | Giffin, Nick A.; Hendsbee, Arthur D.; Masuda, Jason D. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 32 |
Pages of publication | 12636 - 12638 |
a | 16.506 ± 0.003 Å |
b | 14.607 ± 0.002 Å |
c | 21.516 ± 0.003 Å |
α | 90° |
β | 93.218 ± 0.002° |
γ | 90° |
Cell volume | 5179.4 ± 1.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1491 |
Residual factor for significantly intense reflections | 0.066 |
Weighted residual factors for significantly intense reflections | 0.1196 |
Weighted residual factors for all reflections included in the refinement | 0.1538 |
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/7040032.html
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Users of the data should acknowledge the original authors of the
structural data.