Information card for entry 4511020

Structure parameters

• Formula: C20 H20 O6
• Calculated formula: C20 H20 O6
• SMILES: C1(c2ccc(cc2)OC)C(C(c2ccc(cc2)OC)C1C(=O)O)C(=O)O
• Title of publication: Effect of polymer cross-links on oxygen diffusion in glassy PMMA films.
• Authors of publication: Klinger, Markus; Tolbod, Lars Poulsen; Gothelf, Kurt V.; Ogilby, Peter R.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2009
• Journal volume: 1
• Journal issue: 3
• Pages of publication: 661 - 667
• a: 5.4015 ± 0.0004 Å
• b: 8.1001 ± 0.0006 Å
• c: 10.5161 ± 0.0007 Å
• α: 89.601 ± 0.005°
• β: 84.818 ± 0.005°
• γ: 72.954 ± 0.004°
• Cell volume: 438.01 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No