Information card for entry 7225920

Structure parameters

• Formula: C28 H20 N2
• Calculated formula: C28 H20 N2
• SMILES: c12ccc(cc1c1ccccc1n2c1ccccc1)/C=C(C#N)/c1ccc(cc1)C
• 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: 16.517 ± 0.004 Å
• b: 13.934 ± 0.003 Å
• c: 9.048 ± 0.002 Å
• α: 90°
• β: 103.642 ± 0.004°
• γ: 90°
• Cell volume: 2023.6 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.1029
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No