Information card for entry 7226490

Structure parameters

• Formula: C185 H183.72 N15 O39
• Calculated formula: C185 H183.724 N15 O39
• Title of publication: Synthesis, optical, and chemical properties of a π-extended rhodol derivative and its derivatives with selectivity and sensitivity for sensing Hg2+in aqueous media
• Authors of publication: Liang, Lijuan; Zhao, Liancheng; Zeng, Xianshun
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 88
• Pages of publication: 85165
• a: 24.9088 ± 0.0007 Å
• b: 7.7954 ± 0.00017 Å
• c: 22.8886 ± 0.0006 Å
• α: 90°
• β: 103.302 ± 0.003°
• γ: 90°
• Cell volume: 4325.1 ± 0.2 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.2535
• Weighted residual factors for all reflections included in the refinement: 0.2728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No