Information card for entry 2004212

Structure parameters

• Chemical name: 3,3-diphenyl-1-propyn-3-ol
• Formula: C15 H12 O
• Calculated formula: C15 H12 O
• SMILES: C#CC(c1ccccc1)(c1ccccc1)O
• Title of publication: 1,1-Diphenyl-3-propyn-1-ol
• Authors of publication: Garcia, J. G.; Ramos, B.; Rodriguez, A.; Fronczek, F. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2674 - 2676
• a: 12.131 ± 0.001 Å
• b: 6.167 ± 0.0005 Å
• c: 16.507 ± 0.002 Å
• α: 90°
• β: 108.69 ± 0.01°
• γ: 90°
• Cell volume: 1169.8 ± 0.2 ų
• Cell temperature: 296 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.054
• Goodness-of-fit parameter for significantly intense reflections: 2.566
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No