Information card for entry 7704326

Structure parameters

• Common name: DEOC
• Chemical name: di(ethoxycarbonyl)oxacalix[4]arene
• Formula: C60 H40 N8 O32
• Calculated formula: C60 H40 N8 O32
• Title of publication: An oxacalix[4]arene derived dual sensing fluorescent probe for the detection of As(v) and Cr(vi) oxyanions in aqueous media.
• Authors of publication: Dey, Shuvankar; Kumar, Anshu; Mondal, Pradip Kumar; Modi, Krunal M.; Chopra, Deepak; Jain, Vinod K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 22
• Pages of publication: 7459 - 7466
• a: 13.432 ± 0.0004 Å
• b: 14.8221 ± 0.0005 Å
• c: 15.7791 ± 0.0005 Å
• α: 90.092 ± 0.002°
• β: 101.455 ± 0.002°
• γ: 91.416 ± 0.002°
• Cell volume: 3077.88 ± 0.17 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2316
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1867
• Weighted residual factors for all reflections included in the refinement: 0.2483
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No