Information card for entry 4128263

Structure parameters

• Formula: C37 H24
• Calculated formula: C37 H24
• SMILES: c12ccccc1C(=C(C12c2ccccc2c2c1cc1c(c2)cccc1)c1ccccc1)c1ccccc1
• Title of publication: Spiro-Functionalized Diphenylethenes: Suppression of a Reversible Photocyclization Contributes to the Aggregation-Induced Emission Effect.
• Authors of publication: Zhou, Zhibiao; Xie, Sheng; Chen, Xian; Tu, Yujie; Xiang, Jiannan; Wang, Jianguo; He, Zikai; Zeng, Zebing; Tang, Ben Zhong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 25
• Pages of publication: 9803 - 9807
• a: 12.2686 ± 0.0014 Å
• b: 12.0157 ± 0.0013 Å
• c: 17.27 ± 0.002 Å
• α: 90°
• β: 95.498 ± 0.003°
• γ: 90°
• Cell volume: 2534.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0783
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No