Information card for entry 7225917

Structure parameters

• Formula: C28 H20 N2 O
• Calculated formula: C28 H20 N2 O
• SMILES: O(C)c1ccc(cc1)C(=C\c1ccc2n(c3c(c2c1)cccc3)c1ccccc1)\C#N
• Title of publication: Remarkable substitution influence on the mechanochromism of cyanostilbene derivatives
• Authors of publication: Zhao, He; Wang, Yongtao; Harrington, Steven; Ma, Lei; Hu, Shuzhi; Wu, Xue; Tang, Huan; Xue, Mei; Wang, Yubin
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 71
• Pages of publication: 66477
• a: 16.599 ± 0.004 Å
• b: 7.731 ± 0.002 Å
• c: 17.121 ± 0.004 Å
• α: 90°
• β: 111.991 ± 0.004°
• γ: 90°
• Cell volume: 2037.2 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No