Information card for entry 1569096

Structure parameters

• Chemical name: MR-320
• Formula: C18 H34 N6 S2 Si
• Calculated formula: C18 H34 N6 S2 Si
• a: 8.946 ± 0.0002 Å
• b: 17.5161 ± 0.0005 Å
• c: 15.1931 ± 0.0004 Å
• α: 90°
• β: 105.072 ± 0.002°
• γ: 90°
• Cell volume: 2298.85 ± 0.11 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• 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: 0.0316
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No