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Information card for entry 7105439
Preview
Coordinates | 7105439.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C9 H15 N O3 S |
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Calculated formula | C9 H15 N O3 S |
SMILES | S1(=O)(=O)OCCC(=C2N1C2)C(C)(C)C |
Title of publication | The intramolecular amination of allenes. |
Authors of publication | Feast, George C; Page, Lee W; Robertson, Jeremy |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 16 |
Pages of publication | 2835 - 2837 |
a | 13.8594 ± 0.0002 Å |
b | 10.5243 ± 0.0002 Å |
c | 19.923 ± 0.0003 Å |
α | 90° |
β | 132.044 ± 0.0007° |
γ | 90° |
Cell volume | 2158.07 ± 0.07 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 | 0.0611 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for all reflections | 0.12 |
Weighted residual factors for significantly intense reflections | 0.0974 |
Weighted residual factors for all reflections included in the refinement | 0.12 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9413 |
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/7105439.html
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Users of the data should acknowledge the original authors of the
structural data.