Information card for entry 7210229

Structure parameters

• Formula: C21 H9 F4 O2
• Calculated formula: C21 H9 F4 O2
• Title of publication: Rapid mechanochemical preparation of a sandwich-like charge transfer complex
• Authors of publication: Chen, Hao; Gao, Fan; Yao, Erdong; Chen, Qi; Ma, Yuguo
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 22
• Pages of publication: 4413
• a: 8.3985 ± 0.0017 Å
• b: 9.819 ± 0.002 Å
• c: 10.245 ± 0.002 Å
• α: 70.94 ± 0.03°
• β: 81.82 ± 0.03°
• γ: 72.29 ± 0.03°
• Cell volume: 759.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0824
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No