Information card for entry 2240345

Structure parameters

• Chemical name: (<i>Z</i>)-1-Phenyl-3-styrylundeca-2-en-4,10-diyn-1-ol
• Formula: C25 H24 O
• Calculated formula: C25 H24 O
• SMILES: O[C@@H](c1ccccc1)/C=C(/C=C/c1ccccc1)C#CCCCCC#C
• Title of publication: Crystal structure of (<i>Z</i>)-1-phenyl-3-styrylundeca-2-en-4,10-diyn-1-ol
• Authors of publication: Ganguly, Rakesh; Sally; Chan, Philip Wai Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• Pages of publication: o64
• a: 17.867 ± 0.002 Å
• b: 17.867 ± 0.002 Å
• c: 5.329 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1473.3 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 3
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.1215
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes