Information card for entry 2101384

Structure parameters

• Common name: GL2E4-4
• Chemical name: GL2E4-2-1
• Formula: C20 H28 O8
• Calculated formula: C20 H28 O8
• SMILES: O=C1OC[C@@H]2O[C@@]2(C)CC[C@H]2O[C@]2(C)C(=O)OC[C@@H]2[C@](CC[C@H]3[C@@]1(C)O3)(C)O2.O=C1OC[C@H]2O[C@]2(C)CC[C@@H]2O[C@@]2(C)C(=O)OC[C@H]2[C@@](CC[C@@H]3[C@]1(C)O3)(C)O2
• 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: 10.649 ± 0.004 Å
• b: 8.559 ± 0.004 Å
• c: 5.734 ± 0.002 Å
• α: 107.76 ± 0.03°
• β: 91.13 ± 0.03°
• γ: 100.56 ± 0.03°
• Cell volume: 487.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0482
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections: 0.1245
• Weighted residual factors for significantly intense reflections: 0.1231
• Goodness-of-fit parameter for all reflections: 1.065
• Goodness-of-fit parameter for significantly intense reflections: 1.091
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No