Information card for entry 1559419

Structure parameters

• Formula: C20 H34 O4
• Calculated formula: C20 H34 O4
• SMILES: c1(c(C(C)(C)C)cc(c(c1)C(C)(C)C)OCCOC)OCCOC
• Title of publication: Self-Assembled Solute Networks in Crowded Electrolyte Solutions and Nanoconfinement of Charged Redoxmer Molecules
• Authors of publication: Shkrob, Ilya A.; Li, Tao; Sarnello, Erik; Robertson, Lily A.; Zhao, Yuyue; Farag, Hossam; Yu, Zhou; Zhang, Jingjing; Bheemireddy, Sambasiva R.; Z, Y; Assary, Rajeev S.; Ewoldt, Randy H.; Cheng, Lei; Zhang, Lu
• Journal of publication: The Journal of Physical Chemistry B
• Year of publication: 2020
• a: 6.8597 ± 0.0004 Å
• b: 8.1506 ± 0.0005 Å
• c: 9.6464 ± 0.0006 Å
• α: 113.283 ± 0.001°
• β: 103.766 ± 0.001°
• γ: 91.103 ± 0.001°
• Cell volume: 477.29 ± 0.05 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: 0.0361
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No