Information card for entry 2212491

Structure parameters

• Chemical name: dipotassium 2,5-bis[(2-{2-[2-(2-{2-[2-(2- hydroxyethoxy)phenoxy]ethoxy}phenoxy)ethoxy]phenoxy}methyl)terephthalate methanol tetrasolvate
• Formula: C62 H72 K2 O22
• Calculated formula: C62 H72 K2 O22
• SMILES: C1(O[K]234567[O](Cc8c1cc1c(C(=O)O[K]9%10%11%12%13%14[O](C1)c1ccccc1[O]9CC[O]%10c1ccccc1[O]%11CC[O]%12c1ccccc1[O]%13CC[OH]%14)c8)c1ccccc1[O]2CC[O]3c1ccccc1[O]4CC[O]5c1ccccc1[O]6CC[OH]7)=O.CO.CO.CO.CO
• Title of publication: Dipotassium salt of a double-armed terephthalic acid derivative: dipotassium 2,5-bis(2-{2-[2-(2-{2-[2-(2-hydroxyethoxy)phenoxy]ethoxy}phenoxy)ethoxy]phenoxy}methyl)terephthalate methanol tetrasolvate
• Authors of publication: Noriko, Kasuga C.; Hiroshi, Kato; Masafumi, Kurihara; Masanori, Yumita; Kazuo, Yamaguchi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m924 - m926
• a: 10.199 ± 0.004 Å
• b: 19.874 ± 0.004 Å
• c: 15.386 ± 0.005 Å
• α: 90°
• β: 107.589 ± 0.004°
• γ: 90°
• Cell volume: 2972.9 ± 1.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes