Information card for entry 1568674

Structure parameters

• Formula: C29 H38 N4 Si
• Calculated formula: C29 H38 N4 Si
• SMILES: [Si]1(c2c(C(=Nc3c(N)cccc3)c3c1cc(N(CC)CC)cc3)ccc(N(CC)CC)c2)(C)C
• Title of publication: Bent-to-planar Si-rhodamines: a distinct rehybridization lights up NIR-II fluorescence for tracking nitric oxide in the Alzheimer's disease brain.
• Authors of publication: Xu, Qingshuang; Zhang, Yutao; Zhu, Mingming; Yan, Chenxu; Mao, Wenle; Zhu, Wei-Hong; Guo, Zhiqian
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 15
• Pages of publication: 4091 - 4101
• a: 8.4703 ± 0.0002 Å
• b: 13.2994 ± 0.0003 Å
• c: 24.425 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2751.47 ± 0.12 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0566
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No