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Information card for entry 4516773
Preview
Coordinates | 4516773.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | azide_6e |
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Chemical name | azide_6e |
Formula | C27 H38 F3 N3 O9 |
Calculated formula | C27 H38 F3 N3 O9 |
SMILES | [C@@]1([C@H]2[C@H]([C@H]([C@@H](C[C@@]3([C@@H]([C@H](/C=C(/C(=O)O[C@@H]1CC)C)C)OC(=O)O3)C)C)OC(=O)O2)C)(CC(F)(F)F)N=N#N.C(=O)(C)C |
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 | 7.9614 ± 0.0005 Å |
b | 10.5937 ± 0.0007 Å |
c | 17.3592 ± 0.0011 Å |
α | 90° |
β | 93.179 ± 0.003° |
γ | 90° |
Cell volume | 1461.83 ± 0.16 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 | 0.0394 |
Residual factor for significantly intense reflections | 0.0386 |
Weighted residual factors for significantly intense reflections | 0.105 |
Weighted residual factors for all reflections included in the refinement | 0.1056 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/4516773.html
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Users of the data should acknowledge the original authors of the
structural data.