Information card for entry 2230987

Structure parameters

• Common name: 2,5-bis[2-(4-methylphenyl)ethynyl]benzyl methacrylate
• Chemical name: 2,5-Bis[2-(4-methylphenyl)ethynyl]benzyl 2-methylpropenoate
• Formula: C29 H24 O2
• Calculated formula: C29 H24 O2
• SMILES: O(Cc1c(C#Cc2ccc(C)cc2)ccc(c1)C#Cc1ccc(cc1)C)C(=O)C(=C)C
• Title of publication: 2,5-Bis[2-(4-methylphenyl)ethynyl]benzyl methacrylate
• Authors of publication: Zhang, Zhen-Lin; Zhang, Hai-Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2168
• a: 13.479 ± 0.003 Å
• b: 10.314 ± 0.002 Å
• c: 18.39 ± 0.007 Å
• α: 90°
• β: 116.06 ± 0.02°
• γ: 90°
• Cell volume: 2296.7 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0809
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes