Information card for entry 2228914
Chemical name |
(5<i>S</i>)-3-Chloro-4-(2,5-dihydro-1<i>H</i>-pyrrol-1-yl)- 5-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-isopropyl-5- methylcyclohexyloxy]furan-2(5<i>H</i>)-one |
Formula |
C18 H26 Cl N O3 |
Calculated formula |
C18 H26 Cl N O3 |
SMILES |
ClC1=C([C@@H](O[C@H]2[C@@H](CC[C@H](C2)C)C(C)C)OC1=O)N1CC=CC1 |
Title of publication |
(5<i>S</i>)-3-Chloro-4-(2,5-dihydro-1<i>H</i>-pyrrol-1-yl)-5-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyloxy]furan-2(5<i>H</i>)-one |
Authors of publication |
Fu, Jian-Hua; Wang, Zhao-Yang; Xue, Fu-Ling; Huo, Jing-Pei |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
1 |
Pages of publication |
o73 |
a |
7.192 ± 0.002 Å |
b |
9.622 ± 0.003 Å |
c |
27.534 ± 0.009 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1905.4 ± 1 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
5 |
Space group number |
19 |
Hermann-Mauguin space group symbol |
P 21 21 21 |
Hall space group symbol |
P 2ac 2ab |
Residual factor for all reflections |
0.1148 |
Residual factor for significantly intense reflections |
0.0515 |
Weighted residual factors for significantly intense reflections |
0.1074 |
Weighted residual factors for all reflections included in the refinement |
0.1291 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.02 |
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/2228914.html