Information card for entry 7055236

Structure parameters

• Formula: C40 H52 K O8
• Calculated formula: C40 H52 K O8
• 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: 17.512 ± 0.0018 Å
• b: 18.3856 ± 0.0019 Å
• c: 23.115 ± 0.002 Å
• α: 90°
• β: 98.461 ± 0.002°
• γ: 90°
• Cell volume: 7361.3 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1178
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No