Information card for entry 2014700
Common name |
(R,S)-4-(2,2,4-trimethylchroman-4-yl)phenyl camphanate |
Chemical name |
(R,S)-4-(2,2,4-trimethylchroman-4-yl)phenyl 4,7,7-trimethyl-3-oxo-2-oxobicyclo[2.2.1]heptane-1-carboxylate |
Formula |
C28 H32 O5 |
Calculated formula |
C28 H32 O5 |
Title of publication |
Resolution of (<i>S</i>,<i>S</i>)-4-(2,2,4-trimethylchroman-4-yl)phenyl camphanate and its 4-chromanyl epimer by crystallization |
Authors of publication |
Esterhuysen, Catharine; Bredenkamp, Martin W.; Lloyd, Gareth O. |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2005 |
Journal volume |
61 |
Journal issue |
1 |
Pages of publication |
o32 - o34 |
a |
7.071 ± 0.0005 Å |
b |
6.85 ± 0.0004 Å |
c |
48.717 ± 0.004 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2359.7 ± 0.3 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 2 K |
Number of distinct elements |
3 |
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 |
0.0839 |
Residual factor for significantly intense reflections |
0.067 |
Weighted residual factors for significantly intense reflections |
0.1236 |
Weighted residual factors for all reflections included in the refinement |
0.1306 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.191 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2014700.html