Information card for entry 2204559

Structure parameters

• Chemical name: 5-[(E)-2-Phenylethen-1-yl]quinolin-8-ol
• Formula: C17 H13 N O
• Calculated formula: C17 H13 N O
• SMILES: Oc1c2ncccc2c(cc1)/C=C/c1ccccc1
• Title of publication: 5-[(<i>E</i>)-2-Phenylethen-1-yl]quinolin-8-ol
• Authors of publication: Bjernemose, Jens K.; Less, Robert J.; Raithby, Paul R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o1981 - o1983
• a: 11.928 ± 0.0001 Å
• b: 11.012 ± 0.0001 Å
• c: 28.17 ± 0.0003 Å
• α: 90°
• β: 92.654 ± 0.001°
• γ: 90°
• Cell volume: 3696.19 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0981
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes