Information card for entry 7103440

Structure parameters

• Formula: C48 H41 Cl3 O8 Si
• Calculated formula: C48 H41 Cl3 O8 Si
• Title of publication: Fluorescent probe: complexation of Fe3+ with the myo-inositol 1,2,3-trisphosphate motif.
• Authors of publication: Mansell, David; Rattray, Nicholas; Etchells, Laura L; Schwalbe, Carl H; Blake, Alexander J; Bichenkova, Elena V; Bryce, Richard A; Barker, Christopher J; Díaz, Alvaro; Kremer, Carlos; Freeman, Sally
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 41
• Pages of publication: 5161 - 5163
• a: 11.1679 ± 0.0009 Å
• b: 11.6838 ± 0.0009 Å
• c: 16.9249 ± 0.0013 Å
• α: 72.42 ± 0.002°
• β: 81.387 ± 0.002°
• γ: 87.634 ± 0.002°
• Cell volume: 2081.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0605
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No