Information card for entry 1514665

Structure parameters

• Formula: C55 H54 F6 N O10 P
• Calculated formula: C55 H54 F6 N O10 P
• SMILES: c1ccc(cc1)C[NH2+]Cc1ccc2c3c1ccc1c3c(cc2)ccc1.[F-][P](F)(F)(F)(F)F.O=c1ccc2c(o1)cc1c(c2)OCCOCCOCCOc2c(OCCOCCOCCO1)cc1c(c2)cccc1
• Title of publication: First demonstration of two-step FRET in a synthetic supramolecular assembly
• Authors of publication: Suresh, Moorthy; Mandal, Amal Kumar; Suresh, E.; Das, Amitava
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 6
• Pages of publication: 2380
• a: 14.0847 ± 0.0011 Å
• b: 15.7003 ± 0.0012 Å
• c: 25.3994 ± 0.0019 Å
• α: 90°
• β: 91.481 ± 0.002°
• γ: 90°
• Cell volume: 5614.8 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1771
• Residual factor for significantly intense reflections: 0.1183
• Weighted residual factors for significantly intense reflections: 0.293
• Weighted residual factors for all reflections included in the refinement: 0.3256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No