Information card for entry 2015869

Structure parameters

• Chemical name: 1,17-Diphenyl-2,4,6,8,10,12,14,16-octaoxaheptadecane
• Formula: C21 H28 O8
• Calculated formula: C21 H28 O8
• SMILES: O(COCOCOCc1ccccc1)COCOCOCOCc1ccccc1
• Title of publication: 1,17-Diphenyl-2,4,6,8,10,12,14,16-octaoxaheptadecane
• Authors of publication: Bats, Jan W.; Miculka, Christian; Noe, Christian R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o190 - o192
• a: 47.506 ± 0.008 Å
• b: 5.392 ± 0.002 Å
• c: 8.288 ± 0.002 Å
• α: 90°
• β: 100.38 ± 0.02°
• γ: 90°
• Cell volume: 2088.2 ± 1 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes