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Information card for entry 1519574
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Coordinates | 1519574.cif |
---|
Formula | C15 H25 Br N2 O |
---|---|
Calculated formula | C15 H25 Br N2 O |
SMILES | CCCCn1c[n+](c2c1cccc2)CCCC.[Br-].O |
Title of publication | C15H25BrN2O |
Authors of publication | Butts, Craig; Coles, Simon J.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2003 |
Pages of publication | 947 |
a | 8.769 ± 0.0001 Å |
b | 18.3239 ± 0.0006 Å |
c | 10.4942 ± 0.0003 Å |
α | 90° |
β | 107.374 ± 0.002° |
γ | 90° |
Cell volume | 1609.3 ± 0.07 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 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 | 0.05 |
Residual factor for significantly intense reflections | 0.0334 |
Weighted residual factors for significantly intense reflections | 0.0797 |
Weighted residual factors for all reflections included in the refinement | 0.0867 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
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/1519574.html
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Users of the data should acknowledge the original authors of the
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