Information card for entry 1558955

Structure parameters

• Common name: 3-Methoxymethyl-3-methyl-1,5,9-trioxacyclododecane Lithium Perchlorate Hemihydrate
• Formula: C12 H25 Cl Li O8.5
• Calculated formula: C12 Cl Li O8.5
• SMILES: Cl(=O)(=O)(=O)[O-].[OH2][Li]123[O]4CC(C[O]1CCC[O]2CCC4)(C[O]3C)C.Cl(=O)(=O)(=O)O[Li]123[O]4CC(C[O]1CCC[O]2CCC4)(C[O]3C)C
• Title of publication: 12-Crown-3 Type Li+ Complexes: Structures of 3,3-Dimethyl-1,5,9-trioxacyclododecane Lithium Perchlorate and 3-Methoxymethyl-3-methyl-1,5,9-trioxacyclododecane Lithium Perchlorate Hemihydrate
• Authors of publication: Tinant, Bernard; Declercq, Jean-Paul; Fredriksen, Siw B.; Dale, Johannes
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1993
• Journal volume: 47
• Pages of publication: 663 - 667
• a: 26.614 ± 0.005 Å
• b: 14.711 ± 0.004 Å
• c: 9.033 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3536.6 ± 1.4 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 2.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No