Information card for entry 7153336

Structure parameters

• Chemical name: 4,6-bispyrenoyl-myo-inositol 1,2,3,5-tetrakis(dibenzyl phosphate)
• Formula: C96 H80 O20 P4
• Calculated formula: C96 H80 O20 P4
• Title of publication: Conformational analysis of the natural iron chelator myo-inositol 1,2,3-trisphosphate using a pyrene-based fluorescent mimic.
• Authors of publication: Mansell, David; Rattray, Nicholas; Etchells, Laura L.; Schwalbe, Carl H.; Blake, Alexander J.; Torres, Julia; Kremer, Carlos; Bichenkova, Elena V.; Barker, Christopher J.; Freeman, Sally
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 2850 - 2858
• a: 15.16 ± 0.002 Å
• b: 15.211 ± 0.002 Å
• c: 19.507 ± 0.002 Å
• α: 69.54 ± 0.002°
• β: 83.666 ± 0.002°
• γ: 77.071 ± 0.002°
• Cell volume: 4105.1 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0992
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No