Information card for entry 7715367

Structure parameters

• Formula: C76 H80 Ge2 P2
• Calculated formula: C76 H80 Ge2 P2
• SMILES: [Ge]1(C(=P(C2=C[C@H]([Ge](C(=P(c3ccccc3)(c3ccccc3)c3ccccc3)C)(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)C=C[C@@H]12)(c1ccccc1)c1ccccc1)C)(c1c(C)cc(C)cc1C)c1c(cc(cc1C)C)C.[Ge]1(C(=P(C2=C[C@@H]([Ge](C(=P(c3ccccc3)(c3ccccc3)c3ccccc3)C)(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)C=C[C@H]12)(c1ccccc1)c1ccccc1)C)(c1c(C)cc(C)cc1C)c1c(cc(cc1C)C)C
• Title of publication: Intramolecular dearomative 1,4-addition of silyl and germyl radicals to a phenyl moiety.
• Authors of publication: Krämer, Felix; Wenzel, Jonas O.; Fernández, Israel; Breher, Frank
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 2917 - 2921
• a: 14.2708 ± 0.0013 Å
• b: 17.2871 ± 0.0017 Å
• c: 17.33 ± 0.0015 Å
• α: 105.786 ± 0.007°
• β: 100.35 ± 0.007°
• γ: 113.369 ± 0.007°
• Cell volume: 3570.9 ± 0.7 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No