Information card for entry 7028419

Structure parameters

• Formula: C12 H10 O4
• Calculated formula: C12 H10 O4
• SMILES: c1(=O)cc(c2c(c(c(cc2)O)C(=O)C)o1)C
• Title of publication: A simple coumarin as a turn-on fluorescence sensor for Al(iii) ions.
• Authors of publication: Li, Tianrong; Fang, Ran; Wang, Baodui; Shao, Yongliang; Liu, Jian; Zhang, Shouting; Yang, Zhengyin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 7
• Pages of publication: 2741 - 2743
• a: 7.514 ± 0.012 Å
• b: 8.352 ± 0.014 Å
• c: 9.08 ± 0.015 Å
• α: 69.07 ± 0.014°
• β: 72.274 ± 0.014°
• γ: 89.133 ± 0.015°
• Cell volume: 504.1 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No