Information card for entry 4508792
| Chemical name |
1,1'-binaphthyl-2,2'-dicarboxylic acid 1,4-dioxane clathrate |
| Formula |
C26 H22 O6 |
| Calculated formula |
C26 H22 O6 |
| SMILES |
O=C(O)c1ccc2ccccc2c1c1c(ccc2ccccc12)C(=O)O.O1CCOCC1 |
| Title of publication |
Growth of Six Different Crystals of the Versatile Host Compound 1,1‘-Binaphthyl-2,2‘-dicarboxylic Acid from Solutions in 1,4-Dioxane |
| Authors of publication |
Izotova, Lidiya; Ibragimov, Bakhtiyar; Ashurov, Jamshid; Talipov, Samat; Weber, Edwin |
| Journal of publication |
Crystal Growth & Design |
| Year of publication |
2006 |
| Journal volume |
6 |
| Journal issue |
11 |
| Pages of publication |
2523 |
| a |
10.994 ± 0.005 Å |
| b |
13.215 ± 0.007 Å |
| c |
16.591 ± 0.016 Å |
| α |
99.8 ± 0.06° |
| β |
107.79 ± 0.06° |
| γ |
95.44 ± 0.04° |
| Cell volume |
2234 ± 3 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 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 |
0.1145 |
| Residual factor for significantly intense reflections |
0.0736 |
| Weighted residual factors for significantly intense reflections |
0.1692 |
| Weighted residual factors for all reflections included in the refinement |
0.2023 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.095 |
| 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/4508792.html
