Information card for entry 1504782

Structure parameters

• Formula: C49 H42 Cl2 F12 P4
• Calculated formula: C49 H42 Cl2 F12 P4
• SMILES: c1c([P+](Cc2c3c(C[P+](c4ccccc4)(c4ccccc4)c4ccccc4)cccc3ccc2)(c2ccccc2)c2ccccc2)cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].ClCCl
• Title of publication: A novel fluoride ion colorimetric chemosensor.
• Authors of publication: Yeo, Hyoung Min; Ryu, Byung Ju; Nam, Kye Chun
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 14
• Pages of publication: 2931 - 2934
• a: 11.1084 ± 0.0018 Å
• b: 14.51 ± 0.002 Å
• c: 15.814 ± 0.003 Å
• α: 92.665 ± 0.004°
• β: 106.583 ± 0.004°
• γ: 101.121 ± 0.004°
• Cell volume: 2383 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1812
• Residual factor for significantly intense reflections: 0.0929
• Weighted residual factors for significantly intense reflections: 0.2002
• Weighted residual factors for all reflections included in the refinement: 0.2854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No