Information card for entry 1514916

Structure parameters

• Formula: C52 H47 F12 N5 P2
• Calculated formula: C52 H47 F12 N5 P2
• SMILES: [F-][P](F)(F)(F)(F)F.[F-][P](F)(F)(F)(F)F.Cc1c(C[n+]2cn(c3c2cccc3)c2ccc(cc2)c2ccccc2)c(C)c(c(c1C)Cn1c[n+](c2c1cccc2)c1ccc(cc1)c1ccccc1)C.CC#N
• Title of publication: A fluorescent chemosensor for detection of perchlorate ions in water.
• Authors of publication: Kumar, Rahul; Kumar, Sandeep; Singh, Prabhpreet; Hundal, Geeta; Hundal, Maninder Singh; Kumar, Subodh
• Journal of publication: The Analyst
• Year of publication: 2012
• Journal volume: 137
• Journal issue: 21
• Pages of publication: 4913 - 4916
• a: 24.481 ± 0.002 Å
• b: 8.9613 ± 0.0005 Å
• c: 23.769 ± 0.002 Å
• α: 90°
• β: 108.336 ± 0.002°
• γ: 90°
• Cell volume: 4949.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2041
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.2554
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No