Information card for entry 7055227

Structure parameters

• Formula: C22 H32 K O6
• Calculated formula: C22 H32 K O6
• 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: 8.7069 ± 0.0008 Å
• b: 9.1354 ± 0.0008 Å
• c: 15.4095 ± 0.0014 Å
• α: 98.506 ± 0.0015°
• β: 91.665 ± 0.0015°
• γ: 113.205 ± 0.0014°
• Cell volume: 1108.98 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No