Information card for entry 1505334

Structure parameters

• Formula: C22 H24 O4
• Calculated formula: C22 H24 O4
• SMILES: O1CCCCOc2c(C#Cc3c1cc(c(OC)c3)C)cc(OC)c(c2)C
• Title of publication: Electron transfer prompted ejection of a tightly bound K(+) from the ethereal cavity of a hexaarylbenzene-based receptor.
• Authors of publication: Shukla, Ruchi; Lindeman, Sergey V.; Rathore, Rajendra
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 1291 - 1294
• a: 16.3149 ± 0.0005 Å
• b: 18.2602 ± 0.0005 Å
• c: 12.8582 ± 0.0004 Å
• α: 90°
• β: 108.045 ± 0.001°
• γ: 90°
• Cell volume: 3642.21 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0325
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No