Information card for entry 7122315

Structure parameters

• Formula: C23 H25 N O5
• Calculated formula: C23 H25 N O5
• Title of publication: Optically pure 2-(quinolin-8-yloxy)cyclohexan-1-ol as a practical agent for molecular recognition by NMR and fluorescence spectroscopy
• Authors of publication: Bedekar, Ashutosh; Khanvilkar, Aditya N.
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 10.7133 ± 0.0009 Å
• b: 12.3487 ± 0.0008 Å
• c: 15.4466 ± 0.0015 Å
• α: 90°
• β: 98.908 ± 0.009°
• γ: 90°
• Cell volume: 2018.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No