Information card for entry 7206858
| Chemical name |
1,4-Dihydroxytriptycene-9,10-dicarbaldehyde acetonitrile solvate cpd 10.CH3CN |
| Formula |
C24 H17 N O4 |
| Calculated formula |
C24 H17 N O4 |
| SMILES |
Oc1c2c(c(O)cc1)C1(c3ccccc3C2(c2ccccc12)C=O)C=O.N#CC |
| Title of publication |
The use of the triptycene framework for observing O⋯CO molecular interactions |
| Authors of publication |
Lari, Alberth; Pitak, Mateusz B.; Coles, Simon J.; Bresco, Emma; Belser, Peter; Beyeler, Andreas; Pilkington, Melanie; Wallis, John D. |
| Journal of publication |
CrystEngComm |
| Year of publication |
2011 |
| Journal volume |
13 |
| Journal issue |
23 |
| Pages of publication |
6978 |
| a |
9.0118 ± 0.0003 Å |
| b |
9.6549 ± 0.0004 Å |
| c |
11.6967 ± 0.0005 Å |
| α |
80.718 ± 0.003° |
| β |
87.782 ± 0.003° |
| γ |
65.542 ± 0.002° |
| Cell volume |
913.81 ± 0.06 Å3 |
| Cell temperature |
120 ± 2 K |
| Ambient diffraction temperature |
120 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0845 |
| Residual factor for significantly intense reflections |
0.0554 |
| Weighted residual factors for significantly intense reflections |
0.1316 |
| Weighted residual factors for all reflections included in the refinement |
0.1468 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.043 |
| 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/7206858.html
