Information card for entry 1504784

Structure parameters

• Formula: C50 H43 Cl2 N P2
• Calculated formula: C50 H43 Cl2 N P2
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)Cc1c2c(cccc2C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)ccc1.[Cl-].C(#N)C.[Cl-]
• 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: 11.2692 ± 0.0011 Å
• b: 13.1613 ± 0.0013 Å
• c: 14.7442 ± 0.0014 Å
• α: 108.221 ± 0.002°
• β: 98.803 ± 0.003°
• γ: 93.853 ± 0.002°
• Cell volume: 2037.2 ± 0.3 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: 0.166
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No