Information card for entry 7108225

Structure parameters

• Common name: SiR-Hg
• Formula: C37.5 H44 Cl N5 O S Si
• Calculated formula: C37.5 H41 Cl N5 O S Si
• Title of publication: Spirolactonized Si-rhodamine: a novel NIR fluorophore utilized as a platform to construct Si-rhodamine-based probes
• Authors of publication: Ting Wang; Qing-Jie Zhao; Hong-Gang Hu; Shi-Chong Yu; Xiang Liu; Li Liu; Qiu-Ye Wu
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 8781
• a: 30.13 ± 0.006 Å
• b: 13.543 ± 0.003 Å
• c: 19.002 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7754 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1164
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.226
• Weighted residual factors for all reflections included in the refinement: 0.2543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No