Information card for entry 2204606
Chemical name |
1-Hydroxymethyl-2,2-diphenylethyl 2,4,6-trimethylphenyl ketone |
Formula |
C25 H26 O2 |
Calculated formula |
C25 H26 O2 |
SMILES |
O=C(C(CO)C(c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C |
Title of publication |
1-Hydroxymethyl-2,2-diphenylethyl 2,4,6-trimethylphenyl ketone |
Authors of publication |
Pinkus, A. G.; Klausmeyer, Kevin K.; Feazell, Rodney P.; Logaraj, Sundaram; Hurd, Phillip W. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2004 |
Journal volume |
60 |
Journal issue |
12 |
Pages of publication |
o2432 - o2433 |
a |
11.7361 ± 0.0007 Å |
b |
10.57 ± 0.0007 Å |
c |
16.0857 ± 0.001 Å |
α |
90° |
β |
95.574 ± 0.003° |
γ |
90° |
Cell volume |
1986 ± 0.2 Å3 |
Cell temperature |
273 ± 2 K |
Ambient diffraction temperature |
273 ± 2 K |
Number of distinct elements |
3 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0613 |
Residual factor for significantly intense reflections |
0.0416 |
Weighted residual factors for significantly intense reflections |
0.0986 |
Weighted residual factors for all reflections included in the refinement |
0.108 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.047 |
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/2204606.html