Information card for entry 7715768

Structure parameters

• Chemical name: SKARR-8
• Formula: C53 H64 Cl Ge N5 S2
• Calculated formula: C53 H64 Cl Ge N5 S2
• SMILES: [Ge](Cl)(N(CC)CC)(C1N(C(=S)N(C=1)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)C1N(C(=S)N(C=1)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.c1(ccccc1)C
• 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 R. K.; Karwasara, Surendar; Zhu, Hui; Schnakenburg, Gregor; Streubel, Rainer
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 18
• Pages of publication: 7953 - 7957
• a: 10.74459 ± 0.00015 Å
• b: 26.597 ± 0.0005 Å
• c: 17.9341 ± 0.0003 Å
• α: 90°
• β: 104.142 ± 0.0011°
• γ: 90°
• Cell volume: 4969.77 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No