Information card for entry 7715765

Structure parameters

• Chemical name: MR-391
• Formula: C40 H78 Ge2 N12 O S4
• Calculated formula: C40 H78 Ge2 N12 O 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: 10.491 ± 0.0007 Å
• b: 15.5099 ± 0.0008 Å
• c: 17.3593 ± 0.001 Å
• α: 75.118 ± 0.004°
• β: 72.831 ± 0.005°
• γ: 81.836 ± 0.005°
• Cell volume: 2601.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No