Information card for entry 1569098

Structure parameters

• Chemical name: MR-619
• Formula: C64 H122 N12 O P2 S4 Si2
• Calculated formula: C60 H112 N12 P2 S4 Si2
• a: 24.8922 ± 0.0006 Å
• b: 14.1605 ± 0.0005 Å
• c: 22.8124 ± 0.0005 Å
• α: 90°
• β: 95.215 ± 0.002°
• γ: 90°
• Cell volume: 8007.8 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• 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: 0.1283
• Residual factor for significantly intense reflections: 0.0982
• Weighted residual factors for significantly intense reflections: 0.2541
• Weighted residual factors for all reflections included in the refinement: 0.2701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No