Information card for entry 7204557

Structure parameters

• Formula: C13 H10 O4
• Calculated formula: C13 H10 O4
• SMILES: c1c(C(=O)O)cc(cc1C#CCO)C#CCO
• Title of publication: Synthesis and evaluation of a solid supported molecular tweezer type receptor for cholesterolElectronic supplementary information (ESI) available: synthetic procedures and analytical data for compounds 3‒8. See http://www.rsc.org/suppdata/jm/b2/b210427j/
• Authors of publication: Davidson, Louise; Blencowe, Anton; Drew, Michael G. B.; Freebairn, Keith W.; Hayes, Wayne
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2003
• Journal volume: 13
• Journal issue: 4
• Pages of publication: 758
• a: 15.47 ± 0.02 Å
• b: 7.797 ± 0.014 Å
• c: 18.86 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2275 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1766
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.2277
• Weighted residual factors for all reflections included in the refinement: 0.26
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No