Information card for entry 2006282

Structure parameters

• Chemical name: Tetraethyleneneglycol succinate
• Formula: C12 H20 O7
• Calculated formula: C12 H20 O7
• SMILES: O1CCOCCOCCOC(=O)CCC(=O)OCC1
• Title of publication: A Cyclic Monomer of Tetraethyleneglycol Succinate
• Authors of publication: Cronin, Leroy; Moore, Madeleine H.; Semlyen, J. Anthony; Wood, Barry R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 940 - 942
• a: 8.97 ± 0.02 Å
• b: 18.89 ± 0.03 Å
• c: 8.355 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1416 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1552
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections: 0.3111
• Weighted residual factors for significantly intense reflections: 0.1395
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No