Information card for entry 7232656

Structure parameters

• Formula: C96 H72 N4 O8
• Calculated formula: C96 H72 N4 O8
• Title of publication: 1 : 2 charge-transfer complexes of perylene and coronene with perylene diimide, and the ambipolar transistors
• Authors of publication: Sato, Ryonosuke; Yoo, Dongho; Mori, Takehiko
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 20
• Pages of publication: 3218
• a: 10.51253 ± 0.00019 Å
• b: 11.3405 ± 0.0002 Å
• c: 14.6657 ± 0.0003 Å
• α: 98.3194 ± 0.0009°
• β: 100.576 ± 0.0009°
• γ: 98.4908 ± 0.0009°
• Cell volume: 1673.12 ± 0.06 ų
• Cell temperature: 270 K
• Ambient diffraction temperature: 270 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: 0.1282
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 0.827
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No