Information card for entry 7051467

Structure parameters

• Formula: C18 H16 F4 N4
• Calculated formula: C18 H16 F4 N4
• SMILES: FC1C(=C(N2CCCC2)N2CCCC2)C(F)=C(F)C(C=1F)=C(C#N)C#N
• Title of publication: Crystal Structures of Amino substituted dicyanoquinodimethanes with Potential Nonlinear Optical Applications
• Journal of publication: New Journal of Chemistry
• Year of publication: 1999
• a: 10.114 ± 0.001 Å
• b: 14.412 ± 0.002 Å
• c: 12.142 ± 0.002 Å
• α: 90°
• β: 113.634 ± 0.006°
• γ: 90°
• Cell volume: 1621.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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