Information card for entry 7104756

Structure parameters

• Formula: C26 H28 O5
• Calculated formula: C26 H28 O5
• SMILES: O1CCOCCOCCOCCOc2ccccc2c2ccc(cc2)c2ccccc12
• Title of publication: Terphenyl crowns: a new family of receptors containing ethereal canopies that direct potassium cation onto benzenoid platforms for cation-pi interactions.
• Authors of publication: Shukla, Ruchi; Lindeman, Sergey V; Rathore, Rajendra
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 37
• Pages of publication: 5600 - 5602
• a: 13.048 ± 0.005 Å
• b: 9.487 ± 0.003 Å
• c: 17.671 ± 0.006 Å
• α: 90°
• β: 97.031 ± 0.005°
• γ: 90°
• Cell volume: 2170.9 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.131
• Residual factor for significantly intense reflections: 0.1051
• Weighted residual factors for significantly intense reflections: 0.2676
• Weighted residual factors for all reflections included in the refinement: 0.2779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No