Information card for entry 1551772
Formula |
C16 H20 N2 O2 |
Calculated formula |
C16 H20 N2 O2 |
SMILES |
O=C1N(C(=C(C)c2ccccc2)N(C(=O)C1(C)C)C)C |
Title of publication |
Crystal Structure of Dihydro-1,3,5,5-tetramethyl-2-(1-phenylethylidene)-4,6(1H,5H)-pyrimidinedione |
Authors of publication |
TAKECHI, Haruko; KUBO, Kanji; TAKAHASHI, Hajime; MATSUMOTO, Taisuke |
Journal of publication |
X-ray Structure Analysis Online |
Year of publication |
2010 |
Journal volume |
26 |
Pages of publication |
77 |
a |
15.294 ± 0.004 Å |
b |
6.9869 ± 0.0018 Å |
c |
15.239 ± 0.004 Å |
α |
90° |
β |
116.154 ± 0.015° |
γ |
90° |
Cell volume |
1461.7 ± 0.7 Å3 |
Cell temperature |
173.1 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for significantly intense reflections |
0.0438 |
Weighted residual factors for all reflections included in the refinement |
0.1396 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.006 |
Diffraction radiation wavelength |
1.54187 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/1551772.html