Information card for entry 8100693

Structure parameters

• Formula: C21 H14 N4
• Calculated formula: C21 H14 N4
• SMILES: N#CC1([C@@H]2C=CCC(=C\c3ccccc3)/[C@@H](C=C2)C1(C#N)C#N)C#N.N#CC1([C@H]2C=CCC(=C\c3ccccc3)/[C@H](C=C2)C1(C#N)C#N)C#N
• Title of publication: Crystal structure of 5-(E)-benzylidenebicyclo[4.2.2]deca-2,7-diene- 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: 355 - 356
• a: 7.63 ± 0.002 Å
• b: 9.497 ± 0.002 Å
• c: 12.467 ± 0.002 Å
• α: 91.92 ± 0.01°
• β: 99.16 ± 0.01°
• γ: 101.2 ± 0.02°
• Cell volume: 872.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No