Information card for entry 2006243

Structure parameters

• Chemical name: 2,2-diphenyl-1,3,6,9-tetraoxacycloundecane
• Formula: C19 H22 O4
• Calculated formula: C19 H22 O4
• SMILES: O1CCOC(OCCOCC1)(c1ccccc1)c1ccccc1
• Title of publication: Planar Chirality in 2,2-Diphenyl-1,3,6,9-tetraoxacycloundecane
• Authors of publication: Hatsue Tamura; Shinya Ueno; Kazuhide Ogawa; Toshikazu Nagai; Takumi Oshima
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 759 - 761
• a: 13.476 ± 0.002 Å
• b: 14.04 ± 0.001 Å
• c: 10.3145 ± 0.0009 Å
• α: 103.953 ± 0.008°
• β: 105.2 ± 0.008°
• γ: 67.291 ± 0.008°
• Cell volume: 1715.7 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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 significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.049
• Goodness-of-fit parameter for significantly intense reflections: 1.69
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No