Information card for entry 4503650

Structure parameters

• Formula: C48 H36 N16 O2
• Calculated formula: C48 H36 N16 O2
• SMILES: CCc1[nH]cc([nH+]1)c1c[nH]c(CC)[nH+]1.C(#N)C(=C1C=CC(C=C1)=C(C#N)C#N)C#N.N#CC(=C1C=CC(=C(C#N)C#N)C=C1)C#N.OC.C(#N)C(C#N)=C1C=CC(C=C1)=C(C#N)C#N.OC
• Title of publication: Hydrogen-Bond Architectures of Protonated 4,4′-Biimidazolium Derivatives and Oligo(imidazolium)s in Charge-Transfer Salts with Tetracyanoquinodimethane
• Authors of publication: Murata, Tsuyoshi; Morita, Yasushi; Yakiyama, Yumi; Yamamoto, Yosuke; Yamada, Satoru; Nishimura, Yoshie; Nakasuji, Kazuhiro
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 3058
• a: 7.17 ± 0.001 Å
• b: 11.63 ± 0.002 Å
• c: 13.215 ± 0.002 Å
• α: 88.74 ± 0.01°
• β: 73.716 ± 0.009°
• γ: 89.33 ± 0.01°
• Cell volume: 1057.5 ± 0.3 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.268
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.5419 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No