Information card for entry 2239643

Structure parameters

• Common name: Bis[bis(diglyme)sodium] 1,1,2,2-tetraphenylethane-1,2-diide
• Chemical name: Bis{bis[1-methoxy-2-(2-methoxyethoxy)ethane-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'']sodium} 1,1,2,2-tetraphenylethane-1,2-diide
• Formula: C50 H76 Na2 O12
• Calculated formula: C50 H76 Na2 O12
• SMILES: [C-](c1ccccc1)(c1ccccc1)[C-](c1ccccc1)c1ccccc1.[Na]1234([O](C)CC[O]1CC[O]2C)[O](C)CC[O]3CC[O]4C.[Na]1234([O](C)CC[O]1CC[O]2C)[O](C)CC[O]3CC[O]4C
• Title of publication: Bis{bis[1-methoxy-2-(2-methoxyethoxy)ethane-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'']sodium} 1,1,2,2-tetraphenylethane-1,2-diide
• Authors of publication: Minyaev, Mikhail E.; Ellis, John E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: m249 - m250
• a: 10.048 ± 0.002 Å
• b: 24.165 ± 0.005 Å
• c: 20.978 ± 0.004 Å
• α: 90°
• β: 92.92 ± 0.03°
• γ: 90°
• Cell volume: 5087.1 ± 1.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0619
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes