Information card for entry 7241062

Structure parameters

• Common name: Benzoquinoline+Dichloroacetate
• Chemical name: 13
• Formula: C17 H13 Cl4 N O4
• Calculated formula: C17 H13 Cl4 N O4
• SMILES: [nH+]1c2c(ccc1)ccc1ccccc21.ClC(Cl)C(=O)[O-].ClC(Cl)C(=O)O
• Title of publication: Fluorescence enhancement of quinolines by protonation
• Authors of publication: Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 49
• Pages of publication: 29385 - 29393
• a: 8.4155 ± 0.0003 Å
• b: 11.3195 ± 0.0005 Å
• c: 19.7432 ± 0.0008 Å
• α: 90°
• β: 92.939 ± 0.002°
• γ: 90°
• Cell volume: 1878.25 ± 0.13 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• 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: 0.0824
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No