Information card for entry 7104760

Structure parameters

• Formula: C26 H28 O5
• Calculated formula: C26 H28 O5
• SMILES: O1CCOCCOCCOCCOc2c(c3c(cccc3)c3ccccc13)cccc2
• 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: 9.2824 ± 0.0002 Å
• b: 10.4418 ± 0.0002 Å
• c: 11.6456 ± 0.0002 Å
• α: 90.902 ± 0.001°
• β: 98.773 ± 0.001°
• γ: 102.934 ± 0.001°
• Cell volume: 1085.78 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No