Information card for entry 4035697
| Formula |
C31 H24 O2 |
| Calculated formula |
C31 H24 O2 |
| SMILES |
o1c2c(c3c(O)ccc4ccccc34)c3c(cc2cc1c1ccccc1)cccc3.C1CCCCC1 |
| Title of publication |
Synthesis of Furan-Annelated BINOL Derivatives: Acid-Catalyzed Cyclization Induces Partial Racemization. |
| Authors of publication |
Octa-Smolin, Frescilia; van der Vight, Felix; Yadav, Rohan; Bhangu, Jasmine; Soloviova, Kateryna; Wölper, Christoph; Daniliuc, Constantin G.; Strassert, Cristian A.; Somnitz, Holger; Jansen, Georg; Niemeyer, Jochen |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2018 |
| Journal volume |
83 |
| Journal issue |
23 |
| Pages of publication |
14568 - 14587 |
| a |
11.5614 ± 0.0005 Å |
| b |
12.8155 ± 0.0006 Å |
| c |
16.0415 ± 0.0007 Å |
| α |
87.862 ± 0.003° |
| β |
76.7 ± 0.003° |
| γ |
79.546 ± 0.003° |
| Cell volume |
2274.62 ± 0.18 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0982 |
| Residual factor for significantly intense reflections |
0.0658 |
| Weighted residual factors for significantly intense reflections |
0.1722 |
| Weighted residual factors for all reflections included in the refinement |
0.1943 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.048 |
| Diffraction radiation wavelength |
1.54178 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/4035697.html
