Information card for entry 7059489

Structure parameters

• Chemical name: 10.TCNQ-F4
• Formula: C39 H29 F4 N8
• Calculated formula: C39 H29 F4 N8
• SMILES: FC1=C(F)C(C(F)=C(F)C1=C(C#N)C#N)=C(C#N)C#N.[N+]1(c2c3c4c(c(N(C)C)c2)cccc4N(c2c3c3c1cccc3c(N(C)C)c2)C)(C)C
• Title of publication: One step conversion of 1,5-bis(dimethylamino)naphthalene to salts of “back to back” bis-acridine derivatives
• Authors of publication: Yang, Songjie; Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 23
• Pages of publication: 9621 - 9625
• a: 11.4701 ± 0.0004 Å
• b: 11.7251 ± 0.0004 Å
• c: 13.159 ± 0.0004 Å
• α: 74.899 ± 0.003°
• β: 67.021 ± 0.003°
• γ: 86.962 ± 0.002°
• Cell volume: 1570.67 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No