Information card for entry 7157014

Structure parameters

• Common name: Yoav333b (Hila)
• Formula: C48 H69 D2 N O3 Si2
• Calculated formula: C48 H71 N O3 Si2
• Title of publication: First α-deuterium nitroxides; synthesis and EPR study.
• Authors of publication: Toledo, Hila; Tumanskii, Boris; Sabirov, Denis Sh; Kaushansky, Alexander; Fridman, Natalia; Szpilman, Alex M.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 34
• Pages of publication: 7900 - 7906
• a: 17.2809 ± 0.0013 Å
• b: 16.3497 ± 0.0012 Å
• c: 16.6811 ± 0.0013 Å
• α: 90°
• β: 104.161 ± 0.002°
• γ: 90°
• Cell volume: 4569.8 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No