Information card for entry 8100690

Structure parameters

• 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 ų
• 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