Information card for entry 7055234

Structure parameters

• Formula: C32 H50 Na O8
• Calculated formula: C32 H50 Na O8
• SMILES: [O]1(CCCC1)[Na]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)[O]1CCCC1.c1(ccccc1)c1ccccc1
• 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: 12.7772 ± 0.0013 Å
• b: 17.6539 ± 0.0018 Å
• c: 15.1994 ± 0.0015 Å
• α: 90°
• β: 112.12 ± 0.002°
• γ: 90°
• Cell volume: 3176.1 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.111
• 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: Yes
• Has Fobs: No