Information card for entry 7026982

Structure parameters

• Formula: C20 H44 I2 K2 N2 O9
• Calculated formula: C20 H44 I2 K2 N2 O9
• Title of publication: Substituted diazacrown ethers. Synthesis, spectral characterization and single-crystal structures of C20H42N2O8(NaI)2·H2O and C20H42N2O8(KI)2·H2O
• Authors of publication: Kılıç, Zeynel; Yıldız, Mustafa; Hökelek, Tuncer; Erdoǧan, Baki
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 21
• Pages of publication: 3635
• a: 9.678 ± 0.002 Å
• b: 9.68 ± 0.001 Å
• c: 17.648 ± 0.002 Å
• α: 81.22 ± 0.02°
• β: 81.2 ± 0.02°
• γ: 70.46 ± 0.02°
• Cell volume: 1530.6 ± 0.4 ų
• Cell temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.065
• Goodness-of-fit parameter for significantly intense reflections: 1.37
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No