Information card for entry 2016982

Structure parameters

• Chemical name: quinolin-6-ol
• Formula: C9 H7 N O
• Calculated formula: C9 H7 N O
• SMILES: Oc1ccc2c(c1)cccn2
• Title of publication: Quinolin-6-ol at 100K
• Authors of publication: Michta, Anna; Nowak, Maria; Kusz, Joachim
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o66 - o69
• a: 14.2061 ± 0.0002 Å
• b: 13.444 ± 0.0002 Å
• c: 14.5341 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2775.82 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes