Information card for entry 4003139

Structure parameters

• Chemical name: Olex2 1.2 (compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5335)
• Formula: C27 H23 N3 O
• Calculated formula: C27 H23 N3 O
• SMILES: O(c1c2ccc(N(C)C)cc2ccc1/C=C(\C#N)c1ccc(cc1)c1ccncc1)C
• Title of publication: Specific Two-Photon Imaging of Live Cellular and Deep-Tissue Lipid Droplets by Lipophilic AIEgens at Ultralow Concentration
• Authors of publication: Niu, Guangle; Zhang, Ruoyao; Kwong, John P. C.; Lam, Jacky W. Y.; Chen, Congping; Wang, Jianguo; Chen, Yuncong; Feng, Xing; Kwok, Ryan T. K.; Sung, Herman H.-Y.; Williams, Ian D.; Elsegood, Mark R. J.; Qu, Jianan; Ma, Chao; Wong, Kam Sing; Yu, Xiaoqiang; Tang, Ben Zhong
• Journal of publication: Chemistry of Materials
• Year of publication: 2018
• Journal volume: 30
• Journal issue: 14
• Pages of publication: 4778
• a: 9.44471 ± 0.0001 Å
• b: 10.54296 ± 0.0001 Å
• c: 21.2952 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2120.47 ± 0.04 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No