Information card for entry 2203257
| Common name |
1,1-[2,6-bis-(hydroxymethyl)-4-methylphenol]-benzaldehydeacetal |
| Chemical name |
1,1-[2,6-bis-(hydroxymethyl)-4-methylphenol]-benzaldehydeacetal |
| Formula |
C16 H16 O3 |
| Calculated formula |
C16 H16 O3 |
| SMILES |
O1c2c(cc(cc2COC1c1ccccc1)C)CO |
| Title of publication |
2,6-Bis(hydroxymethyl)-4-methylphenol benzylidene 1,2-acetal |
| Authors of publication |
Yin, Caixia; Huo, Fangjun; Gao, Fei; Yang, Pin |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2004 |
| Journal volume |
60 |
| Journal issue |
3 |
| Pages of publication |
o457 - o459 |
| a |
22.782 ± 0.011 Å |
| b |
4.884 ± 0.002 Å |
| c |
23.432 ± 0.011 Å |
| α |
90° |
| β |
92.461 ± 0.007° |
| γ |
90° |
| Cell volume |
2605 ± 2 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
15 |
| Hermann-Mauguin space group symbol |
C 1 2/c 1 |
| Hall space group symbol |
-C 2yc |
| Residual factor for all reflections |
0.0911 |
| Residual factor for significantly intense reflections |
0.0632 |
| Weighted residual factors for significantly intense reflections |
0.1624 |
| Weighted residual factors for all reflections included in the refinement |
0.1765 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.038 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/2203257.html
