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Information card for entry 4516772
Preview
Coordinates | 4516772.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | azide_3g |
---|---|
Chemical name | azide_3g |
Formula | C15 H23 N3 O3 |
Calculated formula | C15 H23 N3 O3 |
SMILES | [C@@]12(CC[C@H]([C@@H]3CC[C@@]([C@H]([C@H]23)OC(=O)[C@@H]1C)(C)O)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 | 17.681 ± 0.002 Å |
b | 5.8685 ± 0.0007 Å |
c | 14.2464 ± 0.0019 Å |
α | 90° |
β | 98.134 ± 0.008° |
γ | 90° |
Cell volume | 1463.3 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0456 |
Residual factor for significantly intense reflections | 0.0433 |
Weighted residual factors for significantly intense reflections | 0.1121 |
Weighted residual factors for all reflections included in the refinement | 0.1151 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4516772.html
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