Information card for entry 2215088
| Chemical name |
2,5-Bis(methoxymethyl)-1,4-dioctyloxybenzene |
| Formula |
C26 H46 O4 |
| Calculated formula |
C26 H46 O4 |
| SMILES |
COCc1cc(OCCCCCCCC)c(cc1OCCCCCCCC)COC |
| Title of publication |
2,5-Bis(methoxymethyl)-1,4-dioctyloxybenzene |
| Authors of publication |
Zhang, Hai-Guang; Yang, Qin-Zheng; Yu, Wen-Tao; Tao, Xu-Tang; Jiang, Min-Hua |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2007 |
| Journal volume |
63 |
| Journal issue |
9 |
| Pages of publication |
o3778 - o3778 |
| a |
6.6253 ± 0.0009 Å |
| b |
8.8218 ± 0.0009 Å |
| c |
11.7625 ± 0.0015 Å |
| α |
106.662 ± 0.008° |
| β |
95.398 ± 0.01° |
| γ |
96.066 ± 0.009° |
| Cell volume |
649.32 ± 0.14 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1597 |
| Residual factor for significantly intense reflections |
0.0738 |
| Weighted residual factors for significantly intense reflections |
0.1672 |
| Weighted residual factors for all reflections included in the refinement |
0.2041 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.049 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
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https://www.crystallography.net/2215088.html
