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Information card for entry 8101104
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| Coordinates | 8101104.cif |
|---|
| Formula | C24 H21 N3 O3 |
|---|---|
| Calculated formula | C24 H21 N3 O3 |
| SMILES | O=C1N2N(C(=O)N1c1ccccc1)[C@H]1C=CC=CC=C([C@H]2c2ccc(OC)cc2)C1 |
| Title of publication | Crystal structure of 2RS-p-methoxyphenyl-8SR-5-phenyl-3,5,7-triazatricyclo [6.5.1.0^3,7^]tetradeca-9,11,13-triene-4,6-dione, C~24~H~21~N~3~O~3~ |
| Authors of publication | Gream, G. E.; Kirkbride, P. K.; Tiekink, E. R. T. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2001 |
| Journal volume | 216 |
| Journal issue | 4 |
| Pages of publication | 571 - 572 |
| a | 15.675 ± 0.003 Å |
| b | 19.863 ± 0.004 Å |
| c | 6.1999 ± 0.0027 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1930.4 ± 0.8 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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