Information card for entry 1559420

Structure parameters

• Formula: C18 H30 O3
• Calculated formula: C18 H30 O3
• SMILES: c1c(c(cc(c1C(C)(C)C)OC)C(C)(C)C)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: 6.8022 ± 0.0005 Å
• b: 9.2501 ± 0.0007 Å
• c: 15.7435 ± 0.0012 Å
• α: 73.83 ± 0.001°
• β: 83.495 ± 0.001°
• γ: 69.502 ± 0.001°
• Cell volume: 891.03 ± 0.12 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0448
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No