Information card for entry 7205546

Structure parameters

• Formula: C18 H22 O6
• Calculated formula: C18 H22 O6
• SMILES: C1(=O)C2=C[C@H]3[C@H]([C@H]4C(=C[C@@H]3C4)C(=O)OCCOCCOCCO1)C2.C1(=O)C2=C[C@@H]3[C@@H]([C@@H]4C(=C[C@H]3C4)C(=O)OCCOCCOCCO1)C2
• Title of publication: The return of photoelastic stress measurements: utilizing birefringence to monitor damage and repair in healable materials
• Authors of publication: Murphy, Erin B.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 5
• Pages of publication: 1438
• a: 6.2605 ± 0.0007 Å
• b: 29.481 ± 0.004 Å
• c: 8.9958 ± 0.001 Å
• α: 90°
• β: 92.235 ± 0.003°
• γ: 90°
• Cell volume: 1659.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No