Information card for entry 2007467

Structure parameters

• Chemical name: 2,2-diphenyl-1,3,6,9,12,15-hexaoxacycloheptadecane
• Formula: C23 H30 O6
• Calculated formula: C23 H28.494 O6
• SMILES: C1OCCOC(OCCOCCOCCOC1)(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: 13.948 ± 0.002 Å
• b: 11.703 ± 0.002 Å
• c: 14.725 ± 0.002 Å
• α: 90°
• β: 116.753 ± 0.008°
• γ: 90°
• Cell volume: 2146.3 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.17
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections: 0.199
• Weighted residual factors for significantly intense reflections: 0.141
• Goodness-of-fit parameter for all reflections: 1.01
• Goodness-of-fit parameter for significantly intense reflections: 1.16
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No