Information card for entry 1554505

Structure parameters

• Formula: C66 H66 I N2 O4 P2
• Calculated formula: C66 H66 I N2 O4 P2
• Title of publication: Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts
• Authors of publication: Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 110
• a: 19.7346 ± 0.0013 Å
• b: 19.9943 ± 0.0012 Å
• c: 14.9829 ± 0.0007 Å
• α: 90°
• β: 110.36 ± 0.002°
• γ: 90°
• Cell volume: 5542.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No