Information card for entry 1501853

Structure parameters

• Formula: C22 H18 F6 N4 O6
• Calculated formula: C22 H18 F6 N4 O6
• SMILES: O(C(=O)/C(=N\Nc1cccc2cccnc12)c1[nH+]cccc1)CC.FC(F)(F)C(=O)O.FC(F)(F)C(=O)[O-]
• Title of publication: Switching around two axles: controlling the configuration and conformation of a hydrazone-based switch.
• Authors of publication: Su, Xin; Aprahamian, Ivan
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 30 - 33
• a: 7.3881 ± 0.0007 Å
• b: 10.9108 ± 0.001 Å
• c: 15.096 ± 0.0014 Å
• α: 101.546 ± 0.001°
• β: 95.941 ± 0.001°
• γ: 105.033 ± 0.001°
• Cell volume: 1135.82 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No