Information card for entry 7125568

Structure parameters

• Formula: C27 H31 Cl Cu F3 N4 O4.5 S
• Calculated formula: C27 H28 Cl Cu F3 N4 O4.5 S
• Title of publication: 'On-off-on' fluorescent indicators of pH windows based on three separated components.
• Authors of publication: Pallavicini, Piersandro; Amendola, Valeria; Massera, Chiara; Mundum, Etienne; Taglietti, Angelo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2002
• Journal issue: 20
• Pages of publication: 2452 - 2453
• a: 29.723 ± 0.005 Å
• b: 8.506 ± 0.005 Å
• c: 11.882 ± 0.005 Å
• α: 90 ± 0.005°
• β: 94.335 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2995 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1326
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 0.584
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No