Information card for entry 1511856

Structure parameters

• Formula: C21 H22 Cl N2 O2
• Calculated formula: C21 H22 Cl N2 O2
• SMILES: [Cl-].n1c2c(c(cc1c1ccc(OC)cc1)[C@H](O)[C@@H]1[NH2+]CCC1)cccc2
• Title of publication: Development of quinoline-based disruptors of biofilm formation against Vibrio cholerae.
• Authors of publication: León, Brian; Fong, Jiunn C. N.; Peach, Kelly C.; Wong, Weng Ruh; Yildiz, Fitnat H.; Linington, Roger G.
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 1234 - 1237
• a: 6.5377 ± 0.0006 Å
• b: 8.3477 ± 0.0007 Å
• c: 34.271 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1870.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No