Information card for entry 2012789
| Chemical name |
(3Z)-3-[1-(1,2-dimethyl-1H-indol-3-yl)-2,2,3,3,4,4,4-heptafluorobutylidene]- 4-(tricyclo[3.3.1.1^3,7^]decylidene)dihydrofuran-2,5-dione |
| Formula |
C28 H24 F7 N O3 |
| Calculated formula |
C28 H24 F7 N O3 |
| SMILES |
FC(F)(C(c1c2ccccc2n(C)c1C)=C1C(=O)OC(=O)C1=C1C2CC3CC1CC(C2)C3)C(F)(F)C(F)(F)F |
| Title of publication |
Structural properties of a series of photochromic fluorinated indolylfulgides |
| Authors of publication |
Wolak, Mason A.; Finn, Robert C.; Rarig Jr, Randy S.; Thomas, Craig J.; Hammond, Robert P.; Birge, Robert R.; Zubieta, Jon; Lees, Watson J. |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
2002 |
| Journal volume |
58 |
| Journal issue |
7 |
| Pages of publication |
o389 - o393 |
| a |
10.313 ± 0.001 Å |
| b |
10.924 ± 0.001 Å |
| c |
11.729 ± 0.001 Å |
| α |
87.67 ± 0.01° |
| β |
82.65 ± 0.01° |
| γ |
73.24 ± 0.01° |
| Cell volume |
1254.8 ± 0.2 Å3 |
| Cell temperature |
90 ± 2 K |
| Ambient diffraction temperature |
273 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.065 |
| Residual factor for significantly intense reflections |
0.044 |
| Weighted residual factors for significantly intense reflections |
0.101 |
| Weighted residual factors for all reflections included in the refinement |
0.11 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.033 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
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https://www.crystallography.net/2012789.html
