Information card for entry 7121817

Structure parameters

• Formula: C22 H29 I N2 O3
• Calculated formula: C22 H29 I N2 O3
• 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: 9.0399 ± 0.0006 Å
• b: 10.7529 ± 0.0007 Å
• c: 12.1907 ± 0.0008 Å
• α: 84.915 ± 0.004°
• β: 70.321 ± 0.004°
• γ: 80.746 ± 0.004°
• Cell volume: 1100.51 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No