Information card for entry 7055228

Structure parameters

• Formula: C34 H50 K O8
• Calculated formula: C34 H50 K O8
• SMILES: [K]12345([O]6CC[O]1CC[O]3CC[O]5CC[O]4CC[O]2CC6)([O]1CCCC1)[O]1CCCC1.c12ccccc1cc1c(c2)cccc1
• Title of publication: Isolation of gravimetrically quantifiable alkali metal arenides using 18-crown-6
• Authors of publication: Castillo, Maximiliano; Metta-Magaña, Alejandro J.; Fortier, Skye
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 3
• Pages of publication: 1923
• a: 13.0082 ± 0.0008 Å
• b: 18.1719 ± 0.0011 Å
• c: 15.3774 ± 0.001 Å
• α: 90°
• β: 112.47 ± 0.001°
• γ: 90°
• Cell volume: 3359 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No