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 |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2203257.html