Information card for entry 2008151

Structure parameters

• Common name: tetrabenzo-24-crown-8
• Formula: C32 H32 O8
• Calculated formula: C32 H32 O8
• SMILES: C1COc2ccccc2OCCOc2ccccc2OCCOc2c(OCCOc3c(O1)cccc3)cccc2
• Title of publication: Tetrabenzo-24-crown-8
• Authors of publication: Bryan, Jeffrey C.; Bunick, Gerard J.; Sachleben, Richard A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 250 - 252
• a: 9.5974 ± 0.0013 Å
• b: 18.9323 ± 0.0011 Å
• c: 7.2881 ± 0.001 Å
• α: 90°
• β: 94.229 ± 0.012°
• γ: 90°
• Cell volume: 1320.6 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.046
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections: 1.02
• Goodness-of-fit parameter for significantly intense reflections: 1.04
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes