Information card for entry 4518537

Structure parameters

• Formula: C40.5 H25 Cl F2 N2 O4
• Calculated formula: C40.4455 H24.891 Cl0.891 F2 N2 O4
• Title of publication: Bay-Substitution Effect of Perylene Diimides on Supramolecular Chirality and Optoelectronic Properties of Their Self-Assembled Nanostructures.
• Authors of publication: Shang, Xiaobo; Ahn, Jaeyong; Lee, Jeong Hyeon; Kim, Jin Chul; Ohtsu, Hiroyoshi; Choi, Wanuk; Song, Inho; Kwak, Sang Kyu; Oh, Joon Hak
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 12278 - 12285
• a: 8.317 ± 0.0017 Å
• b: 12.218 ± 0.002 Å
• c: 15.239 ± 0.003 Å
• α: 77.72 ± 0.03°
• β: 87.35 ± 0.03°
• γ: 86.42 ± 0.03°
• Cell volume: 1509.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.2042
• Weighted residual factors for all reflections included in the refinement: 0.2113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No