Information card for entry 7115944

Structure parameters

• Common name: SiR
• Formula: C30 H36 N2 O2 Si
• Calculated formula: C30 H36 N2 O2 Si
• SMILES: N(c1cc2c(cc1)C1(c3ccccc3C(=O)O1)c1c([Si]2(C)C)cc(N(CC)CC)cc1)(CC)CC
• Title of publication: A general approach to spirolactonized Si-rhodamines
• Authors of publication: Wang, Baogang; Chai, Xiaoyun; Zhu, Weiwei; Wang, Ting; Wu, Qiuye
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2014
• Journal volume: 50
• Journal issue: 92
• Pages of publication: 14374 - 14377
• a: 22.481 ± 0.005 Å
• b: 12.174 ± 0.002 Å
• c: 20.069 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5492.6 ± 1.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 0.849
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No