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Information card for entry 8100690
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Coordinates | 8100690.cif |
---|
Formula | C21 H14 N4 |
---|---|
Calculated formula | C21 H14 N4 |
SMILES | N#CC1([C@H]2[C@@H]3/C(=C/c4ccccc4)C[C@@H]3[C@H](C=C2)C1(C#N)C#N)C#N.N#CC1([C@@H]2[C@H]3/C(=C/c4ccccc4)C[C@H]3[C@@H](C=C2)C1(C#N)C#N)C#N |
Title of publication | Crystal structure of 3-(E)-benzylidene-(1RS,2SR,5RS,6SR)-tricyclo- [4.2.2.0^2,5^]deca-7-ene-9,9,10,10-tetracarbonitrile, C~21~H~14~N~4~ |
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 | 2002 |
Journal volume | 217 |
Journal issue | 3 |
Pages of publication | 353 - 354 |
a | 24.028 ± 0.005 Å |
b | 26.31 ± 0.01 Å |
c | 10.456 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6609 ± 3 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 3 |
Space group number | 43 |
Hermann-Mauguin space group symbol | F d d 2 |
Hall space group symbol | F 2 -2d |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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