Information card for entry 4035699
| Formula |
C32 H26 O4 |
| Calculated formula |
C32 H26 O4 |
| SMILES |
O(c1c(c2c(OCOC)ccc3c2cccc3)c2c(cc1C#Cc1ccccc1)cccc2)COC |
| 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 |
11.105 ± 0.0008 Å |
| b |
11.4637 ± 0.0008 Å |
| c |
11.6332 ± 0.0008 Å |
| α |
68.869 ± 0.003° |
| β |
68.313 ± 0.003° |
| γ |
64.712 ± 0.003° |
| Cell volume |
1207.52 ± 0.15 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 |
0.056 |
| Residual factor for significantly intense reflections |
0.0488 |
| Weighted residual factors for significantly intense reflections |
0.1371 |
| Weighted residual factors for all reflections included in the refinement |
0.1463 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.023 |
| 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/4035699.html
