Information card for entry 7241058

Structure parameters

• Common name: Benzoquinoline+Benzenesulfonate
• Chemical name: 12
• Formula: C19 H15 N O3 S
• Calculated formula: C19 H15 N O3 S
• SMILES: [nH+]1c2c(ccc1)ccc1ccccc21.S(=O)(=O)([O-])c1ccccc1
• 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: 7.4888 ± 0.0002 Å
• b: 12.3779 ± 0.0004 Å
• c: 19.0995 ± 0.0007 Å
• α: 90°
• β: 97.448 ± 0.002°
• γ: 90°
• Cell volume: 1755.5 ± 0.1 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: 0.087
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No