Information card for entry 4515904

Structure parameters

• Formula: C41 H45 F6 N4 O4 P
• Calculated formula: C41 H45 F6 N4 O4 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].O=C1N(C(=O)c2c1cc1C(=O)N(C(=O)c1c2[n+]1ccc(N(C)C)cc1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Pyridinium-Functionalized Pyromellitic Diimides with Stabilized Radical Anion States.
• Authors of publication: Greenlee, Andrew J.; Ofosu, Charles K.; Xiao, Qifan; Modan, Mohammed M.; Janzen, Daron E.; Cao, Dennis D.
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 1
• Pages of publication: 240 - 245
• a: 13.0575 ± 0.0014 Å
• b: 17.6855 ± 0.0019 Å
• c: 17.644 ± 0.002 Å
• α: 90°
• β: 103.694 ± 0.009°
• γ: 90°
• Cell volume: 3958.7 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No