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Information card for entry 4516768
Preview
Coordinates | 4516768.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | azide_3h |
---|---|
Chemical name | azide_3h |
Formula | C15 H23 N3 O3 |
Calculated formula | C15 H23 N3 O3 |
SMILES | [C@@]1([C@@H]2CC[C@H]([C@@H]3CC[C@@]([C@H]([C@H]23)OC1=O)(C)O)C)(C)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 | 6.1715 ± 0.0003 Å |
b | 10.419 ± 0.0006 Å |
c | 22.9681 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1476.87 ± 0.14 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0301 |
Residual factor for significantly intense reflections | 0.0299 |
Weighted residual factors for significantly intense reflections | 0.0825 |
Weighted residual factors for all reflections included in the refinement | 0.0826 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
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/4516768.html
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