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Information card for entry 1519858
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Coordinates | 1519858.cif |
---|
Formula | C18 H24 N5 O2 P3 |
---|---|
Calculated formula | C18 H24 N5 O2 P3 |
SMILES | P12(OCCCN2)=NP2(OCCCN2)=NP(=N1)(c1ccccc1)c1ccccc1 |
Title of publication | C18H24N5O2P3 |
Authors of publication | Davies, David B.; Besli, S.; Kilic, A.; Coles, Simon J.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2007 |
Pages of publication | 289 |
a | 10.6006 ± 0.0006 Å |
b | 9.5629 ± 0.0004 Å |
c | 19.5682 ± 0.0011 Å |
α | 90° |
β | 91.038 ± 0.002° |
γ | 90° |
Cell volume | 1983.35 ± 0.18 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 | 0.0947 |
Residual factor for significantly intense reflections | 0.0749 |
Weighted residual factors for significantly intense reflections | 0.1747 |
Weighted residual factors for all reflections included in the refinement | 0.1925 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
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/1519858.html
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Users of the data should acknowledge the original authors of the
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