Information card for entry 2211954
Chemical name |
(S,S)-2,2'-(1,2-Ethanediyldiimino)bis-1-butanol |
Formula |
C10 H24 N2 O2 |
Calculated formula |
C10 H24 N2 O2 |
SMILES |
OC[C@@H](NCCN[C@H](CO)CC)CC |
Title of publication |
(<i>S</i>,<i>S</i>)-2,2'-(1,2-Ethanediyldiimino)dibutan-1-ol. Corrigendum |
Authors of publication |
Bai, Guo-Yi; Zhang, Chen-Fang; Zhang, Yue-Cheng; Zeng, Tao; Li, Jiang-Sheng |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
1 |
Pages of publication |
e2 - e3 |
a |
7.157 ± 0.003 Å |
b |
8.44 ± 0.004 Å |
c |
10.193 ± 0.005 Å |
α |
90° |
β |
95.631 ± 0.008° |
γ |
90° |
Cell volume |
612.7 ± 0.5 Å3 |
Cell temperature |
294 ± 2 K |
Ambient diffraction temperature |
294 ± 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 |
0.0606 |
Residual factor for significantly intense reflections |
0.0406 |
Weighted residual factors for significantly intense reflections |
0.0917 |
Weighted residual factors for all reflections included in the refinement |
0.1027 |
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 |
No |
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The link is:
https://www.crystallography.net/2211954.html