Information card for entry 1508145
| Common name |
OP8Br |
| Formula |
C64 H64 Br2 O16 |
| Calculated formula |
C64 H64 Br2 O16 |
| SMILES |
Brc1cc(OC)c(OC)cc1c1cc(OC)c(OC)cc1c1cc(OC)c(OC)cc1c1cc(OC)c(OC)cc1c1cc(OC)c(OC)cc1c1cc(OC)c(OC)cc1c1cc(OC)c(OC)cc1c1cc(OC)c(OC)cc1Br |
| Title of publication |
Redox-responsive molecular helices with highly condensed π-clouds. |
| Authors of publication |
Ohta, Eisuke; Sato, Hiroyasu; Ando, Shinji; Kosaka, Atsuko; Fukushima, Takanori; Hashizume, Daisuke; Yamasaki, Mikio; Hasegawa, Kimiko; Muraoka, Azusa; Ushiyama, Hiroshi; Yamashita, Koichi; Aida, Takuzo |
| Journal of publication |
Nature chemistry |
| Year of publication |
2011 |
| Journal volume |
3 |
| Journal issue |
1 |
| Pages of publication |
68 - 73 |
| a |
14.6299 ± 0.0007 Å |
| b |
22.0132 ± 0.0009 Å |
| c |
17.1801 ± 0.0012 Å |
| α |
90° |
| β |
90.557 ± 0.004° |
| γ |
90° |
| Cell volume |
5532.6 ± 0.5 Å3 |
| Cell temperature |
93 K |
| Ambient diffraction temperature |
93 K |
| Number of distinct elements |
4 |
| 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 |
0.0483 |
| Residual factor for significantly intense reflections |
0.0427 |
| Weighted residual factors for significantly intense reflections |
0.1167 |
| Weighted residual factors for all reflections included in the refinement |
0.1226 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.06 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1508145.html
