Information card for entry 2014698

Structure parameters

• Chemical name: 1,4-Bis(p-tolylethynyl)benzene
• Formula: C24 H18
• Calculated formula: C24 H18
• SMILES: Cc1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccc(cc1)C
• Title of publication: 1,4-Bis(<i>p</i>-tolylethynyl)benzene
• Authors of publication: Filatov, Alexander S.; Petrukhina, Marina A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o193 - o194
• a: 14.5478 ± 0.0011 Å
• b: 4.9229 ± 0.0004 Å
• c: 11.3006 ± 0.0009 Å
• α: 90°
• β: 100.711 ± 0.001°
• γ: 90°
• Cell volume: 795.22 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes