Information card for entry 7121820

Structure parameters

• Formula: C44 H58 Br2 N4 O6
• Calculated formula: C44 H58 Br2 N4 O6
• Title of publication: Anion-π interactions of highly π-acidic dipyridinium-naphthalene diimide salts.
• Authors of publication: Tam, Teck Lip Dexter; Ng, Chee Koon; Lu, Xuefeng; Lim, Zheng Long; Wu, Jishan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 53
• Pages of publication: 7374 - 7377
• a: 8.303 ± 0.001 Å
• b: 28.106 ± 0.004 Å
• c: 9.5912 ± 0.0012 Å
• α: 90°
• β: 104.697 ± 0.002°
• γ: 90°
• Cell volume: 2165 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0358
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No