Information card for entry 1554506

Structure parameters

• Formula: C34 H34 Br Cl3 N O2 P
• Calculated formula: C34 H34 Br Cl3 N O2 P
• 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: 10.967 ± 0.0006 Å
• b: 15.8648 ± 0.001 Å
• c: 20.3172 ± 0.0011 Å
• α: 90°
• β: 105.084 ± 0.003°
• γ: 90°
• Cell volume: 3413.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No