Information card for entry 4517196

Structure parameters

• Formula: C28 H28 Br N O2
• Calculated formula: C28 H28 Br N O2
• SMILES: BrC1=CC2C(=CC1=O)OC1=C(C=2)CCC\C1=C/C=C1\C(C)(C)c2ccccc2N1CCC
• Title of publication: <i>De Novo</i>-Designed Near-Infrared Nanoaggregates for Super-Resolution Monitoring of Lysosomes in Cells, in Whole Organoids, and <i>in Vivo</i>.
• Authors of publication: Fang, Hongbao; Yao, Shankun; Chen, Qixin; Liu, Chunyan; Cai, Yuqi; Geng, Shanshan; Bai, Yang; Tian, Zhiqi; Zacharias, Amanda L.; Takebe, Takanori; Chen, Yuncong; Guo, Zijian; He, Weijiang; Diao, Jiajie
• Journal of publication: ACS nano
• Year of publication: 2019
• a: 8.4787 ± 0.0007 Å
• b: 11.5245 ± 0.0009 Å
• c: 13.9097 ± 0.0013 Å
• α: 93.646 ± 0.002°
• β: 107.158 ± 0.002°
• γ: 93.044 ± 0.002°
• Cell volume: 1292.35 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No