Information card for entry 2230929
Common name |
Cyclopenol |
Chemical name |
3'-(3-Hydroxyphenyl)-4-methylspiro[benzo[<i>e</i>][1,4]diazepine-3,2'- oxirane]-2,5(1<i>H</i>,4<i>H</i>)-dione |
Formula |
C17 H14 N2 O4 |
Calculated formula |
C17 H14 N2 O4 |
SMILES |
O=C1N(C)[C@]2(O[C@H]2c2cc(O)ccc2)C(=O)Nc2c1cccc2 |
Title of publication |
3'-(3-Hydroxyphenyl)-4-methylspiro[benzo[<i>e</i>][1,4]diazepine-3,2'-oxirane]-2,5(1<i>H</i>,4<i>H</i>)-dione |
Authors of publication |
Liu, Jun-Liang; Hu, Zhi-Yu; Xu, Qing-Yan |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
7 |
Pages of publication |
o1670 |
a |
7.0066 ± 0.0002 Å |
b |
11.616 ± 0.0004 Å |
c |
9.1568 ± 0.0002 Å |
α |
90° |
β |
108.157 ± 0.001° |
γ |
90° |
Cell volume |
708.15 ± 0.04 Å3 |
Cell temperature |
193 ± 2 K |
Ambient diffraction temperature |
193 ± 2 K |
Number of distinct elements |
4 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.0347 |
Residual factor for significantly intense reflections |
0.033 |
Weighted residual factors for significantly intense reflections |
0.1003 |
Weighted residual factors for all reflections included in the refinement |
0.1066 |
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/2230929.html