Information card for entry 1547232

Structure parameters

• Formula: C36 H40 N4
• Calculated formula: C36 H40 N4
• SMILES: C(=C(c1ccccc1)c1ccccc1)(c1ccc(cc1)N1CCN(C)CC1)c1ccc(cc1)N1CCN(C)CC1
• Title of publication: An Acidic pH Independent Piperazine-TPE AIEgen as a Unique Bioprobe for Lysosome Tracing
• Authors of publication: Cai, Yuanjing; Gui, Chen; Samedov, Kerim; Su, Huifang; Gu, Xinggui; Li, Shiwu; Luo, Wenwen; Sung, Herman H-Y.; Lam, Jacky Wing Yip; Kwok, Ryan T. K.; Williams, Ian Duncan; Qin, Anjun; Tang, Ben Zhong
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 13.1123 ± 0.0013 Å
• b: 20.584 ± 0.0016 Å
• c: 11.26 ± 0.0009 Å
• α: 90°
• β: 99.391 ± 0.009°
• γ: 90°
• Cell volume: 2998.4 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1569
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No