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Information card for entry 1505008
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1505008.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C36 H39 B N4 O2 |
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Calculated formula | C36 H39 B N4 O2 |
SMILES | [N+](C)(C)(C)CC(=O)NNC(=O)Nc1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Ultra-Easy Access to NH2-Functionalized TSILs, Their Potential as Highly Volume-Efficient Electrophile Scavengers, and Insights into the Electronics of Girard's Reagent T, A Venerable Chemical Work Horse |
Authors of publication | Soutullo, Morgan D.; Odom, Carl I.; Salter, E. Alan; Stenson, Alexandra C.; Sykora, Richard E.; Wierzbicki, Andrzej; Davis, James H. |
Journal of publication | Journal of Combinatorial Chemistry |
Year of publication | 2007 |
Journal volume | 9 |
Journal issue | 4 |
Pages of publication | 571 |
a | 12.7145 ± 0.0017 Å |
b | 15.8471 ± 0.0017 Å |
c | 15.7636 ± 0.0015 Å |
α | 90° |
β | 100.298 ± 0.009° |
γ | 90° |
Cell volume | 3125 ± 0.6 Å3 |
Cell temperature | 290 ± 2 K |
Ambient diffraction temperature | 290 ± 2 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 | 0.0701 |
Residual factor for significantly intense reflections | 0.0376 |
Weighted residual factors for significantly intense reflections | 0.0959 |
Weighted residual factors for all reflections included in the refinement | 0.1097 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1505008.html
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structural data.