Information card for entry 2219907
Chemical name |
5-Bromo-5-bromomethyl-2-phenoxy-1,3,2-dioxaphosphorinan-2-one |
Formula |
C10 H11 Br2 O4 P |
Calculated formula |
C10 H11 Br2 O4 P |
SMILES |
BrC1(COP(=O)(OC1)Oc1ccccc1)CBr |
Title of publication |
5-Bromo-5-bromomethyl-2-phenoxy-1,3,2-dioxaphosphorinan-2-one |
Authors of publication |
Fun, Hoong-Kun; Chantrapromma, Suchada; Adak, Avijit Kr.; Maity, Annada C.; Goswami, Shyamaprosad |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2008 |
Journal volume |
64 |
Journal issue |
11 |
Pages of publication |
o2228 - o2229 |
a |
12.1315 ± 0.0003 Å |
b |
6.3095 ± 0.0001 Å |
c |
16.8901 ± 0.0003 Å |
α |
90° |
β |
92.196 ± 0.002° |
γ |
90° |
Cell volume |
1291.88 ± 0.04 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 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 |
0.1137 |
Residual factor for significantly intense reflections |
0.0473 |
Weighted residual factors for significantly intense reflections |
0.1114 |
Weighted residual factors for all reflections included in the refinement |
0.1421 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.992 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2219907.html