Information card for entry 7122317

Structure parameters

• Formula: C30 H36 N2 O5
• Calculated formula: C30 H36 N2 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: 8.4035 ± 0.0009 Å
• b: 22.609 ± 0.002 Å
• c: 14.0695 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2673.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0419
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No