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Information card for entry 4516771
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Coordinates | 4516771.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | azide_6f |
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Chemical name | azide_6f |
Formula | C24 H26 F3 N5 O4 |
Calculated formula | C24 H26 F3 N5 O4 |
SMILES | [C@@]12(CN3CC[C@@]45c6cc(c(cc6N6C(=O)C[C@@H]([C@H]([C@H]2C[C@H]34)[C@@H]56)OC[C@H]1C(F)(F)F)OC)OC)N=N#N |
Title of publication | Late Stage Azidation of Complex Molecules. |
Authors of publication | Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F. |
Journal of publication | ACS central science |
Year of publication | 2016 |
Journal volume | 2 |
Journal issue | 10 |
Pages of publication | 715 - 724 |
a | 9.591 ± 0.0006 Å |
b | 10.1778 ± 0.0006 Å |
c | 11.4314 ± 0.0007 Å |
α | 90° |
β | 102.57 ± 0.002° |
γ | 90° |
Cell volume | 1089.13 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0291 |
Residual factor for significantly intense reflections | 0.0291 |
Weighted residual factors for significantly intense reflections | 0.0766 |
Weighted residual factors for all reflections included in the refinement | 0.0767 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4516771.html
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