Information card for entry 2007466

Structure parameters

• Chemical name: 2,2-diphenyl-1,3,6,9,12-pentaoxacyclotetradecane
• Formula: C21 H26 O5
• Calculated formula: C21 H26 O5
• SMILES: C1OCCOCCOCCOC(OC1)(c1ccccc1)c1ccccc1
• Title of publication: Benzophenone Crown Ether Acetals with 14- and 17-Membered Rings
• Authors of publication: Hatsue Tamura; Shinya Ueno; Kazuhide Ogawa; Toshikazu Nagai; Takumi Oshima
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 1049 - 1052
• a: 13.367 ± 0.003 Å
• b: 10.019 ± 0.002 Å
• c: 15.554 ± 0.002 Å
• α: 90°
• β: 109.56 ± 0.01°
• γ: 90°
• Cell volume: 1962.8 ± 0.7 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.057
• Goodness-of-fit parameter for significantly intense reflections: 1.71
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No