Information card for entry 1550344

Structure parameters

• Formula: C27 H37 I N2
• Calculated formula: C27 H37 I N2
• SMILES: [I-].[nH]1cc(/C=C/c2cc[n+](CCCCCCCCCCCC)cc2)c2ccccc12
• Title of publication: Reaction-free and MMP-independent fluorescent probes for long-term mitochondria visualization and tracking
• Authors of publication: Zhang, Ruoyao; Niu, Guangle; Li, Xuechen; Guo, Lifang; Zhang, Huamiao; Yang, Rui; Chen, Yuncong; Yu, Xiaoqiang; Tang, Ben Zhong
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 10.5322 ± 0.0002 Å
• b: 16.7869 ± 0.0004 Å
• c: 43.8778 ± 0.0008 Å
• α: 90°
• β: 90.202 ± 0.002°
• γ: 90°
• Cell volume: 7757.7 ± 0.3 ų
• Cell temperature: 172.99 ± 0.1 K
• Ambient diffraction temperature: 172.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No