Information card for entry 7213550
| Formula |
C28 H30 O3 |
| Calculated formula |
C28 H30 O3 |
| Title of publication |
Molecular recognition of a large bisphenol A derivative, α,α′-bis(4-hydroxyphenyl)-1,4-diisopropylbenzene, using p-benzoquinone derivatives |
| Authors of publication |
Iwase, Noriaki; Shigeno, Yuta; Wakabayashi, Takashi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane |
| Journal of publication |
CrystEngComm |
| Year of publication |
2014 |
| Journal volume |
16 |
| Journal issue |
2 |
| Pages of publication |
159 |
| a |
6.5163 ± 0.0004 Å |
| b |
29.4058 ± 0.0019 Å |
| c |
11.3547 ± 0.0007 Å |
| α |
90° |
| β |
90.999 ± 0.001° |
| γ |
90° |
| Cell volume |
2175.4 ± 0.2 Å3 |
| Cell temperature |
115 ± 2 K |
| Ambient diffraction temperature |
115 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/n 1 |
| Hall space group symbol |
-P 2yn |
| Residual factor for all reflections |
0.0804 |
| Residual factor for significantly intense reflections |
0.0559 |
| Weighted residual factors for significantly intense reflections |
0.1194 |
| Weighted residual factors for all reflections included in the refinement |
0.1298 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.034 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7213550.html
