Information card for entry 2001012

Structure parameters

• Formula: C32 H24 N4 O2
• Calculated formula: C32 H24 N4 O2
• SMILES: N#CC(=c1ccc(=C(C#N)C#N)cc1)C#N.CCC1=COc2c3c1cc(C)c1c3c(cc2C)C(=CO1)CC
• Title of publication: Structure of a charge-transfer complex of 3,8-diethyl-5,10-dimethyl-1,6-dioxapyrene (DEDMDOP) with 7,7,8,8-tetracyano-<i>p</i>-quinodimethane (TCNQ)
• Authors of publication: Thorup, N.; Hjorth, M.; Christensen, J. B.; Bechgaard, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 3
• Pages of publication: 530 - 533
• a: 6.749 ± 0.001 Å
• b: 9.699 ± 0.002 Å
• c: 19.204 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1257.1 ± 0.3 ų
• Number of distinct elements: 4
• Space group number: 58
• Hermann-Mauguin space group symbol: P m n n
• Hall space group symbol: -P 2n 2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No