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Information card for entry 2005356
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 2005356.cif |
---|---|
Original IUCr paper | HTML |
External links | ChemSpider |
Common name | Cyclophosphamide |
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Chemical name | N,N-Bis(2-chloroethyl)-tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine-2-oxide |
Formula | C7 H15 Cl2 N2 O2 P |
Calculated formula | C7 H15 Cl2 N2 O2 P |
SMILES | P1(=O)(N(CCCl)CCCl)NCCCO1 |
Title of publication | The Anhydrous Racemate of the Carcinostatic Agent Cyclophosphamide and the Bicyclic Degradation Product 1-(2-Chloroethyl)tetrahydro-1<i>H</i>,5<i>H</i>-1,3,2-diazaphospholo[2,1-<i>b</i>][1,3,2]oxazaphosphorine 9-Oxide |
Authors of publication | Jones, P. G.; Thönnessen, H.; Fischer, A.; Neda, I.; Schmutzler, R.; Engel, J.; Kutscher, B.; Niemeyer, U. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1996 |
Journal volume | 52 |
Journal issue | 9 |
Pages of publication | 2359 - 2363 |
a | 9.9062 ± 0.001 Å |
b | 9.838 ± 0.001 Å |
c | 24.061 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2344.9 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0513 |
Residual factor for significantly intense reflections | 0.0351 |
Weighted residual factors for all reflections | 0.0901 |
Weighted residual factors for significantly intense reflections | 0.0839 |
Goodness-of-fit parameter for all reflections | 0.971 |
Goodness-of-fit parameter for significantly intense reflections | 1.069 |
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/2005356.html
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