Information card for entry 2101385

Structure parameters

• Common name: GL2E4-6
• Chemical name: GL2E4-1-3
• Formula: C20 H28 O8
• Calculated formula: C20 H28 O8
• SMILES: C1(=O)[C@]2(C)[C@H](O2)CC[C@]2(C)[C@H](O2)COC(=O)[C@]2(C)[C@H](O2)CC[C@]2(C)[C@H](O2)CO1.C1(=O)[C@@]2(C)[C@@H](O2)CC[C@@]2(C)[C@@H](O2)COC(=O)[C@@]2(C)[C@@H](O2)CC[C@@]2(C)[C@@H](O2)CO1
• Title of publication: Structural properties of synthetic ionophore <i>GL</i>~2~<i>E</i>~4~ diastereomers, 18-membered cyclic lactone tetraepoxides, by X-ray crystal analyses: possible relation between crystal structure and Ca^2+^-transportation ability
• Authors of publication: Doi, M.; In, Y.; Nishino, T.; Ishida, T.; Inoue, M.; Shibuya, H.; Ohashi, K.; Narita, N.; Kitagawa, I.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 6
• Pages of publication: 1045 - 1050
• a: 8.669 ± 0.002 Å
• b: 20.847 ± 0.004 Å
• c: 21.746 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3930 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections: 0.1745
• Weighted residual factors for significantly intense reflections: 0.1369
• Goodness-of-fit parameter for all reflections: 1.058
• Goodness-of-fit parameter for significantly intense reflections: 1.034
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No