Information card for entry 7242771

Structure parameters

• Chemical name: E-ArF2
• Formula: C17 H12 F2 N2 O
• Calculated formula: C17 H12 F2 N2 O
• SMILES: Fc1cc(C(=C\c2ccc(NC(=O)C)cc2)\C#N)cc(F)c1
• Title of publication: Light-fueled rapid macroscopic motion of a green fluorescent organic crystal
• Authors of publication: Giri, Prasenjit; Mazumder, Abhrojyoti; Dey, Dibyendu; Garani, Souvik; Raveendran, Anju; Panda, Manas K.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 34
• Pages of publication: 5876 - 5881
• a: 3.8711 ± 0.0003 Å
• b: 11.149 ± 0.001 Å
• c: 32.557 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1405.1 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No