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Information card for entry 1505009
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1505009.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C33 H40 B N3 O |
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Calculated formula | C33 H40 B N3 O |
SMILES | [N+](C)(C)(C)CC(=O)N/N=C/C(C)C.[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 | 16.63 ± 0.002 Å |
b | 13.9808 ± 0.0015 Å |
c | 12.999 ± 0.003 Å |
α | 90° |
β | 91.48 ± 0.02° |
γ | 90° |
Cell volume | 3021.3 ± 0.9 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.2422 |
Residual factor for significantly intense reflections | 0.0511 |
Weighted residual factors for significantly intense reflections | 0.1019 |
Weighted residual factors for all reflections included in the refinement | 0.148 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.92 |
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/1505009.html
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structural data.