Information card for entry 7003773

Structure parameters

• Formula: C21 H22 Cl2 Na2 O15
• Calculated formula: C21 H22 Cl2 Na2 O15
• SMILES: [Na]123[O]4=C5c6c7Oc8cccc([O]1CC[O]2CC[O]13[Na]24[O](CC1)CC[O]2c6ccc7)c58.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Selective colorimetric and fluorescent detection of HSO4− with sodium(i), magnesium(ii) and aluminium(iii) xanthone-crown ether complexes
• Authors of publication: Shen, Rui; Pan, Xiaobo; Wang, Huifang; Yao, Lihui; Wu, Jincai; Tang, Ning
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 27
• Pages of publication: 3574 - 3581
• a: 8.5217 ± 0.0017 Å
• b: 10.016 ± 0.002 Å
• c: 16.074 ± 0.003 Å
• α: 75.61 ± 0.03°
• β: 74.83 ± 0.03°
• γ: 79.04 ± 0.03°
• Cell volume: 1271.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1364
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.174
• Weighted residual factors for all reflections included in the refinement: 0.1988
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No