Information card for entry 7035464

Structure parameters

• Formula: C15 H13 Cl N2 O3
• Calculated formula: C15 H13 Cl N2 O3
• SMILES: [Cl-].OC(=O)c1cc(nc2c1cccc2)c1[nH+]cccc1.O
• Title of publication: Protonation effect on ligands in EuL: a luminescent switcher for fast naked-eye detection of HCl.
• Authors of publication: Zhang, Jun; Yang, Wen-Bin; Wu, Xiao-Yuan; Kuang, Xiao-Fei; Lu, Can-Zhong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 30
• Pages of publication: 13586 - 13591
• a: 8.4489 ± 0.0007 Å
• b: 8.9646 ± 0.0007 Å
• c: 9.2306 ± 0.0005 Å
• α: 91.897 ± 0.005°
• β: 97.303 ± 0.005°
• γ: 95.599 ± 0.006°
• Cell volume: 689.42 ± 0.09 ų
• Cell temperature: 99.98 ± 0.18 K
• Ambient diffraction temperature: 99.98 ± 0.18 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: 0.0506
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No