Information card for entry 7110992

Structure parameters

• Formula: C18 H25 F2 K N2 O5 S
• Calculated formula: C18 H25 F2 K N2 O5 S
• SMILES: [K]1234[O]5CC[N]4(CC[O]3CC[O]2CC[O]1CC5)Cc1cc(F)c(O)c(F)c1.[S-]C#N
• Title of publication: Polymer-like complexes bridged by a fluorine substituent of the side arm in the 3′,5′-difluoro-4′-hydroxybenzyl-armed monoaza-15-crown-5 ether
• Authors of publication: Habata, Yoichi; Saeki, Tomomi; Akabori, Sadatoshi; Zhang, Xian X.; Bradshaw, Jerald S.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 16
• Pages of publication: 1469
• a: 8.564 ± 0.002 Å
• b: 16.354 ± 0.002 Å
• c: 15.51 ± 0.002 Å
• α: 90°
• β: 93.81 ± 0.02°
• γ: 90°
• Cell volume: 2167.5 ± 0.6 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.31
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No