Information card for entry 4080092

Structure parameters

• Formula: C43 H67 Ge O4 P
• Calculated formula: C43 H67 Ge O4 P
• SMILES: P(=C1[Ge@@](OC(=O)C[C@H]1C(=O)OC)(C(C)(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C.P(=C1[Ge@](OC(=O)C[C@@H]1C(=O)OC)(C(C)(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Versatile Reactivity of Phosphagermaallene Tip(t-Bu)Ge═C═PMes* with α-Ethylenic Esters
• Authors of publication: Ghereg, Dumitru; Ouhsaine, Fatima; Escudié, Jean; Labat, Stéphane; André, Erwan; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Gornitzka, Heinz; Saffon, Nathalie
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 4
• Pages of publication: 1085
• a: 10.4119 ± 0.0012 Å
• b: 22.586 ± 0.002 Å
• c: 18.438 ± 0.002 Å
• α: 90°
• β: 100.725 ± 0.002°
• γ: 90°
• Cell volume: 4260.2 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.1496
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No