Information card for entry 2001335

Structure parameters

• Formula: C16 H14 O2
• Calculated formula: C16 H14 O2
• SMILES: COc1ccccc1C#Cc1ccccc1OC
• Title of publication: Ethynylenebis(2-methoxybenzene)
• Authors of publication: Davis, D. S.; Fronczek, F. R.; Gandour, R. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 1833 - 1834
• a: 12.4588 ± 0.0011 Å
• b: 7.8993 ± 0.0005 Å
• c: 13.222 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1301.3 ± 0.2 ų
• Cell temperature: 297 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.063
• Goodness-of-fit parameter for significantly intense reflections: 4.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No