Information card for entry 2217598

Structure parameters

• Chemical name: 4-(9-Anthryl)-2-methylbutyn-2-ol
• Formula: C19 H16 O
• Calculated formula: C19 H16 O
• SMILES: c1cccc2cc3ccccc3c(c12)C#CC(O)(C)C
• Title of publication: 4-(9-Anthryl)-2-methylbutyn-2-ol
• Authors of publication: Irena Bylińska; Artur Sikorski; Wiesław Wiczk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o484 - o485
• a: 9.995 ± 0.002 Å
• b: 12.738 ± 0.003 Å
• c: 12.905 ± 0.003 Å
• α: 75.7 ± 0.03°
• β: 72.18 ± 0.03°
• γ: 68.84 ± 0.03°
• Cell volume: 1441.4 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1371
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes