Information card for entry 4080093

Structure parameters

• Formula: C44 H72 Ge O2.5 P
• Calculated formula: C44 H72 Ge O2.5 P
• SMILES: [Ge@@]1([C@@H]2P([C@@H](C1)C(=O)OC)c1c(cc(cc1C(C2)(C)C)C(C)(C)C)C(C)(C)C)(C(C)(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C.CCOCC.[Ge@]1([C@H]2P([C@H](C1)C(=O)OC)c1c(cc(cc1C(C2)(C)C)C(C)(C)C)C(C)(C)C)(C(C)(C)C)c1c(cc(cc1C(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: 14.8991 ± 0.0004 Å
• b: 18.2616 ± 0.0005 Å
• c: 16.6892 ± 0.0004 Å
• α: 90°
• β: 104.424 ± 0.002°
• γ: 90°
• Cell volume: 4397.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No