Information card for entry 4516819

Structure parameters

• Formula: C51 H42 N4 O12
• Calculated formula: C51 H42 N4 O12
• Title of publication: Inter-Backbone Charge Transfer as Prerequisite for Long-Range Conductivity in Perylene Bisimide Hydrogels.
• Authors of publication: Burian, Max; Rigodanza, Francesco; Demitri, Nicola; D Ord Ević, Luka; Marchesan, Silvia; Steinhartova, Tereza; Letofsky-Papst, Ilse; Khalakhan, Ivan; Mourad, Eléonore; Freunberger, Stefan A.; Amenitsch, Heinz; Prato, Maurizio; Syrgiannis, Zois
• Journal of publication: ACS nano
• Year of publication: 2018
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 5800 - 5806
• a: 10.856 ± 0.002 Å
• b: 11.859 ± 0.002 Å
• c: 17.712 ± 0.004 Å
• α: 92.06 ± 0.03°
• β: 93.78 ± 0.03°
• γ: 114.52 ± 0.03°
• Cell volume: 2065.1 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1919
• Residual factor for significantly intense reflections: 0.0977
• Weighted residual factors for significantly intense reflections: 0.2587
• Weighted residual factors for all reflections included in the refinement: 0.3263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No