Information card for entry 7715766

Structure parameters

• Chemical name: MR-446
• Formula: C52 H84 Ge2 N12 O P2 S4
• Calculated formula: C52 H84 Ge2 N12 O P2 S4
• Title of publication: Synthesis of tricyclic 1,4-dihydro-1,4-phosphagermines - trying to establish molecular fencing of reactive centers
• Authors of publication: Ramachandran, Mridhul; Karwasara, Surendar; Zhu, Hui; Schnakenburg, Gregor; Streubel, R.
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 19.4838 ± 0.0007 Å
• b: 11.2254 ± 0.0003 Å
• c: 30.2357 ± 0.0011 Å
• α: 90°
• β: 112.7 ± 0.003°
• γ: 90°
• Cell volume: 6100.7 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No