Information card for entry 7053731

Structure parameters

• Formula: C62 H73 F36 N7 P6
• Calculated formula: C60 H70 F36 N6 P6
• Title of publication: Intramolecular binding site competition as a means of tuning the response of a colourimetric anion sensor
• Authors of publication: Dickson, Sara Jane; Wallace, Emma V. B.; Swinburne, Adam N.; Paterson, Martin J.; Lloyd, Gareth O.; Beeby, Andrew; Belcher, Warwick J.; Steed, Jonathan W.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 786
• a: 27.132 ± 0.005 Å
• b: 9.4203 ± 0.0016 Å
• c: 30.586 ± 0.005 Å
• α: 90°
• β: 103.68 ± 0.006°
• γ: 90°
• Cell volume: 7596 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.2144
• Residual factor for significantly intense reflections: 0.1146
• Weighted residual factors for significantly intense reflections: 0.2889
• Weighted residual factors for all reflections included in the refinement: 0.3316
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No