Information card for entry 1543064

Structure parameters

• Chemical name: (<i>E</i>)-2-[(Pyren-1-ylimino)methyl]quinolin-8-ol
• Formula: C26 H16 N2 O
• Calculated formula: C26 H16 N2 O
• SMILES: Oc1cccc2ccc(nc12)/C=N/c1ccc2ccc3cccc4ccc1c2c34
• Title of publication: (<i>E</i>)-2-[(Pyren-1-ylimino)methyl]quinolin-8-ol
• Authors of publication: Mukherjee, Soma; Talukder, Shrabani; Stoeckli-Evans, Helen
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 4
• Pages of publication: x160543
• a: 15.984 ± 0.0019 Å
• b: 4.8453 ± 0.0003 Å
• c: 23.071 ± 0.003 Å
• α: 90°
• β: 93.835 ± 0.009°
• γ: 90°
• Cell volume: 1782.8 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes