Information card for entry 1557108

Structure parameters

• Formula: C64 H87 I3 N5 O2
• Calculated formula: C64 H87 I3 N5 O2
• Title of publication: A side-chain engineering strategy for constructing fluorescent dyes with direct and ultrafast self-delivery to living cells
• Authors of publication: Guo, Lifang; Li, Chuanya; Shang, Hai; Zhang, Ruoyao; Li, Xuechen; Lu, Qing; Cheng, Xiao; Liu, Zhiqiang; Sun, Jing Zhi; Yu, Xiaoqiang
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 3
• Pages of publication: 661 - 670
• a: 14.6729 ± 0.0007 Å
• b: 15.6807 ± 0.0007 Å
• c: 16.4518 ± 0.0007 Å
• α: 85.945 ± 0.004°
• β: 73.88 ± 0.004°
• γ: 62.636 ± 0.005°
• Cell volume: 3222.3 ± 0.3 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: 0.0742
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No