Information card for entry 2205178
Chemical name |
3,8-Dimethyl-1,6-dioxa-4,9-diaza-5λ^5^-phosphaspiro[4.4]nonane-2,7-dione |
Formula |
C6 H11 N2 O4 P |
Calculated formula |
C6 H11 N2 O4 P |
SMILES |
P12(N[C@@H](C)C(=O)O1)N[C@@H](C)C(=O)O2 |
Title of publication |
(3<i>S</i>,8<i>S</i>)-3,8-Dimethyl-1,6-dioxa-4,9-diaza-5λ^5^-phosphaspiro[4.4]nonane-2,7-dione |
Authors of publication |
Yu, Lin; Liu, Zhao; Fang, Hua; Zhao, Yu-Fen |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2005 |
Journal volume |
61 |
Journal issue |
2 |
Pages of publication |
o261 - o262 |
a |
6.1138 ± 0.0012 Å |
b |
7.6933 ± 0.0015 Å |
c |
19.824 ± 0.004 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
932.4 ± 0.3 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
Space group number |
20 |
Hermann-Mauguin space group symbol |
C 2 2 21 |
Hall space group symbol |
C 2c 2 |
Residual factor for all reflections |
0.0885 |
Residual factor for significantly intense reflections |
0.0685 |
Weighted residual factors for significantly intense reflections |
0.1787 |
Weighted residual factors for all reflections included in the refinement |
0.1979 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.066 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2205178.html