Information card for entry 7229766

Structure parameters

• Common name: quinoline-8-ol
• Chemical name: 8-hydroxyquinoline
• Formula: C9 H7 N O
• Calculated formula: C9 H7 N O
• SMILES: Oc1cccc2cccnc12
• Title of publication: Conformational analysis of a supramolecular synthon: a case study of 8-hydroxyquinoline
• Authors of publication: Fedyanin, Ivan V.; Karnoukhova, Valentina A.; Lyssenko, Konstantin A.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 5
• Pages of publication: 652
• a: 24.934 ± 0.0004 Å
• b: 28.5658 ± 0.0004 Å
• c: 3.7778 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2690.77 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No