Information card for entry 2234162
Common name |
1,8-Bis(3,5-dimethylbenzoyl)-2,7-dimethoxynaphthalene |
Chemical name |
(3,5-Dimethylphenyl)[8-(3,5-dimethylbenzoyl)- 2,7-dimethoxynaphthalen-1-yl]methanone |
Formula |
C30 H28 O4 |
Calculated formula |
C30 H28 O4 |
SMILES |
O=C(c1c(OC)ccc2ccc(OC)c(c12)C(=O)c1cc(cc(c1)C)C)c1cc(cc(c1)C)C |
Title of publication |
(3,5-Dimethylphenyl)[8-(3,5-dimethylbenzoyl)-2,7-dimethoxynaphthalen-1-yl]methanone |
Authors of publication |
Muto, Toyokazu; Sasagawa, Kosuke; Okamoto, Akiko; Oike, Hideaki; Yonezawa, Noriyuki |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
4 |
Pages of publication |
o1200 |
a |
19.4659 ± 0.0003 Å |
b |
8.27808 ± 0.0001 Å |
c |
15.8244 ± 0.0002 Å |
α |
90° |
β |
110.69° |
γ |
90° |
Cell volume |
2385.49 ± 0.06 Å3 |
Cell temperature |
193 ± 2 K |
Ambient diffraction temperature |
193 ± 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 |
0.0419 |
Residual factor for significantly intense reflections |
0.0384 |
Weighted residual factors for significantly intense reflections |
0.1142 |
Weighted residual factors for all reflections included in the refinement |
0.1176 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.079 |
Diffraction radiation wavelength |
1.54187 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2234162.html