Information card for entry 1502695

Structure parameters

• Formula: C24 H36 O8
• Calculated formula: C24 H36 O8
• SMILES: O(c1cc2c(cc(OCCOCCOCCOC)cc2)cc1)CCOCCOCCOC
• Title of publication: Medium effect on the geometric isomerism of a centrosymmetrically disubstituted naphthalene derivative with flexible methoxytriethylene glycol chains.
• Authors of publication: Balomenou, Ioanna; Kaloudi-Chantzea, Antonia; Bokias, Georgios; Kallitsis, Joannis K.; Raptopoulou, Catherine P.; Terzis, Aris; Pistolis, George
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2010
• Journal volume: 114
• Journal issue: 24
• Pages of publication: 8181 - 8190
• a: 8.6041 ± 0.0002 Å
• b: 7.8833 ± 0.0001 Å
• c: 18.1199 ± 0.0003 Å
• α: 90°
• β: 101.13 ± 0.0008°
• γ: 90°
• Cell volume: 1205.93 ± 0.04 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1666
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No