Information card for entry 7107868

Structure parameters

• Formula: C24 H6 Cl4 N2 O4
• Calculated formula: C24 H6 Cl4 N2 O4
• Title of publication: Self-assembly of twisted tetrachloroperylenediimide chromophores into two dimensional brick-stone aggregates: exciton dynamics and photoconductivity
• Authors of publication: Xinqiang Cao; Shuming Bao; Yi-Shi Wu; Qing Liao; Qiang Shi; Hongbing Fu; Jiannian Yao
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 6402
• a: 14.324 ± 0.003 Å
• b: 7.1135 ± 0.0014 Å
• c: 19.269 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1963.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No