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Information card for entry 1519842
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Coordinates | 1519842.cif |
---|
Formula | C16 H25 Cl3 N5 P3 |
---|---|
Calculated formula | C16 H25 Cl3 N5 P3 |
SMILES | c1(ccccc1)P1(=NP(=NP(=N1)(Cl)Cl)(N1CCCCC1)Cl)N1CCCCC1 |
Title of publication | C16H25Cl3N5P3 |
Authors of publication | Shaw, R.A.; Davies, David B.; Coles, Simon J. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2007 |
Pages of publication | 305 |
a | 9.4791 ± 0.0002 Å |
b | 10.2283 ± 0.0002 Å |
c | 11.4144 ± 0.0003 Å |
α | 88.423 ± 0.002° |
β | 78.172 ± 0.002° |
γ | 79.694 ± 0.002° |
Cell volume | 1065.66 ± 0.04 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0368 |
Residual factor for significantly intense reflections | 0.0316 |
Weighted residual factors for significantly intense reflections | 0.0787 |
Weighted residual factors for all reflections included in the refinement | 0.0818 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1519842.html
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Users of the data should acknowledge the original authors of the
structural data.