Information card for entry 7248118

Structure parameters

• Formula: C108.85 H90.7 Cl0.7 O3.75
• Calculated formula: C108.85 H90.7 Cl0.7 O3.75
• Title of publication: Electron-donating arene-substituted pentacenedione derivatives: a study of structural, electronic, and electrochemical properties
• Authors of publication: Younes, Eyad A.; Hammad, Yamen J.; Salami, Fatemeh; Rasras, Anas J.; Al-Qawasmeh, Raed A.; Zhao, Yuming
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 5331 - 5339
• a: 13.5911 ± 0.0003 Å
• b: 14.1632 ± 0.0004 Å
• c: 23.9764 ± 0.0006 Å
• α: 94.222 ± 0.002°
• β: 93.435 ± 0.002°
• γ: 106.38 ± 0.002°
• Cell volume: 4400.2 ± 0.2 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: 0.1345
• Residual factor for significantly intense reflections: 0.1026
• Weighted residual factors for significantly intense reflections: 0.3072
• Weighted residual factors for all reflections included in the refinement: 0.3434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.269
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No