Information card for entry 2009369

Structure parameters

• Formula: C20 H18 O2
• Calculated formula: C20 H18 O2
• SMILES: C[C@](c1ccccc1)(C#CC#C[C@@](c1ccccc1)(O)C)O
• Title of publication: <i>meso</i>- and <i>rac</i>-2,7-diphenyl-3,5-octadiyne-2,7-diol, C~20~H~18~O~2~
• Authors of publication: Lord, M.D.; Winter, R.E.K.; Rath, N.P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 1
• Pages of publication: 116 - 120
• a: 10.194 ± 0.002 Å
• b: 10.224 ± 0.002 Å
• c: 11.985 ± 0.002 Å
• α: 95.32 ± 0.02°
• β: 95.93 ± 0.01°
• γ: 97.03 ± 0.01°
• Cell volume: 1226 ± 0.4 ų
• Cell temperature: 298 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 significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.0654
• Goodness-of-fit parameter for significantly intense reflections: 1.26
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No