Information card for entry 7054516

Structure parameters

• Common name: p-MPCPA
• Chemical name: 2-cyano-3-(4-methoxyphenyl)-2-propenamide
• Formula: C11 H10 N2 O2
• Calculated formula: C11 H10 N2 O2
• SMILES: NC(=O)/C(=C/c1ccc(OC)cc1)C#N
• Title of publication: Effect of stacking mode on the mechanofluorochromic properties of 3-aryl-2-cyano acrylamide derivatives
• Authors of publication: Song, Qingbao; Wang, Yongsheng; Hu, Chenchen; Zhang, Yujian; Sun, Jingwei; Wang, Kunyan; Zhang, Cheng
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 659
• a: 3.92 ± 0.002 Å
• b: 10.792 ± 0.006 Å
• c: 23.124 ± 0.012 Å
• α: 90°
• β: 93.463 ± 0.008°
• γ: 90°
• Cell volume: 976.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1143
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.2333
• Weighted residual factors for all reflections included in the refinement: 0.2367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No