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Information card for entry 8101045
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| Coordinates | 8101045.cif |
|---|
| Formula | C71 H46 N4 O3 |
|---|---|
| Calculated formula | C71 H46 N4 O3 |
| SMILES | O1[C@]2(C3c4c(cccc4)C(c4c3cccc4)[C@@]12C1=C(C2c3c(cccc3)C1c1c2cccc1)C#N)C#N.O1[C@@]2(C3c4ccccc4C(c4ccccc34)[C@]12C1=C(C2c3c(cccc3)C1c1c2cccc1)C#N)C#N.C(=O)(C)C |
| Title of publication | Crystal structure of 11,12-dicyano-9,10-ethano-9,10-dihydroanthracene— acetone (2/1), (C~34~H~20~N~20~)~2~ · C~3~H~6~O |
| Authors of publication | Fruzinski, Andrzej; Karolak-Wojciechowska, Janina; Alibert-Franco, Sandrin; Santelli-Rouvier, Cristian; Barbe, Jaques |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2001 |
| Journal volume | 216 |
| Journal issue | 3 |
| Pages of publication | 471 - 473 |
| a | 10.726 ± 0.002 Å |
| b | 34.928 ± 0.007 Å |
| c | 15.263 ± 0.003 Å |
| α | 90° |
| β | 108.89 ± 0.03° |
| γ | 90° |
| Cell volume | 5410.1 ± 1.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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