Information card for entry 7055231

Structure parameters

• Formula: C36 H46 Na O8
• Calculated formula: C36 H46 Na O8
• SMILES: c12cccc3cccc(c13)c1cccc3cccc2c13.[Na]123456([O]7CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC7)[O](C)CC[O]6C
• 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: 22.1045 ± 0.0007 Å
• b: 12.5068 ± 0.0004 Å
• c: 16 ± 0.0009 Å
• α: 90°
• β: 132.18°
• γ: 90°
• Cell volume: 3277.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No