Information card for entry 4508719

Structure parameters

• Chemical name: 1,4-Bis(p-tolylethyl)benzene
• Formula: C24 H26
• Calculated formula: C24 H26
• SMILES: Cc1ccc(cc1)CCc1ccc(CCc2ccc(C)cc2)cc1
• Title of publication: Gas-Phase Assembling of Dirhodium Units into a Novel Organometallic Ladder: Structural and DFT Study
• Authors of publication: Filatov, Alexander S.; Rogachev, Andrey Yu.; Petrukhina, Marina A.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 1479
• a: 16.5263 ± 0.0016 Å
• b: 6.073 ± 0.0006 Å
• c: 9.0693 ± 0.0009 Å
• α: 90°
• β: 100.973 ± 0.002°
• γ: 90°
• Cell volume: 893.59 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 2
• 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: 0.0658
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1691
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No