Information card for entry 4067238

Structure parameters

• Formula: C36 H42 Na O3
• Calculated formula: C36 H42 Na O3
• SMILES: c1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1.[Na]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Alkali Metal-Stabilized 1,3,5-Triphenylbenzene Monoanions: Synthesis and Characterization of the Lithium, Sodium, and Potassium Complexes†
• Authors of publication: Krieck, Sven; Görls, Helmar; Westerhausen, Matthias
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 24
• Pages of publication: 6790
• a: 7.7567 ± 0.0004 Å
• b: 18.6392 ± 0.0007 Å
• c: 10.7397 ± 0.0005 Å
• α: 90°
• β: 100.621 ± 0.002°
• γ: 90°
• Cell volume: 1526.13 ± 0.12 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1184
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No