Information card for entry 7114291

Structure parameters

• Formula: C36 H68 N4 O8 Si
• Calculated formula: C36 H68 N4 O8 Si
• SMILES: [Si](OC1CC([N](=O)C(C1)(C)C)(C)C)(OC1CC([N](=O)C(C1)(C)C)(C)C)(OC1CC([N](=O)C(C1)(C)C)(C)C)OC1CC([N](=O)C(C1)(C)C)(C)C
• Title of publication: Structure and exchange in silicon-linked tetraradicalsElectronic supplementary information (ESI) available: EPR spectra, X-ray crystallographic data and packing views, synthetic and characterization details for 1a and 2, χT plot for 2, and computational summaries for model systems. See http://www.rsc.org/suppdata/cc/b1/b107430j/
• Authors of publication: Liao, Yi; Baskett, Martha; Lahti, Paul M.; Palacio, Fernando
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 3
• Pages of publication: 252
• a: 19.0646 ± 0.0003 Å
• b: 11.8693 ± 0.0002 Å
• c: 19.1899 ± 0.0003 Å
• α: 90°
• β: 100.501 ± 0.0011°
• γ: 90°
• Cell volume: 4269.64 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No