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Information card for entry 4132457
Preview
Coordinates | 4132457.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H46 B10 N4 P2 |
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Calculated formula | C18 H46 B10 N4 P2 |
SMILES | P1(N(CCN1C(C)C)C(C)C)[C]1234[C]567(P8N(CCN8C(C)C)C(C)C)[BH]891[BH]1%106[BH]6%115[BH]537[BH]372[BH]249[BH]48%10[BH]816[BH]%1153[BH]7248 |
Title of publication | Organometallic Gold(III) Reagents for Cysteine Arylation. |
Authors of publication | Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2018 |
Journal volume | 140 |
Journal issue | 23 |
Pages of publication | 7065 - 7069 |
a | 11.492 ± 0.002 Å |
b | 19.277 ± 0.003 Å |
c | 13.003 ± 0.002 Å |
α | 90° |
β | 99.819 ± 0.005° |
γ | 90° |
Cell volume | 2838.4 ± 0.8 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100.15 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0619 |
Residual factor for significantly intense reflections | 0.0418 |
Weighted residual factors for significantly intense reflections | 0.0958 |
Weighted residual factors for all reflections included in the refinement | 0.1062 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Diffraction radiation X-ray symbol | K-L~3~ |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4132457.html
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Users of the data should acknowledge the original authors of the
structural data.