Information card for entry 1568676

Structure parameters

• Formula: C25 H36 Cl6 N2 Si
• Calculated formula: C25 H36 Cl6 N2 Si
• 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: 22.2241 ± 0.0009 Å
• b: 9.0072 ± 0.0003 Å
• c: 30.4536 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6096.1 ± 0.4 ų
• Cell temperature: 272 ± 2 K
• Ambient diffraction temperature: 272 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No