Information card for entry 4065752

Structure parameters

• Formula: C78 H70 Cl6 Ge2 O2
• Calculated formula: C78 H70 Cl6 Ge2 O2
• SMILES: [Ge]1(Oc2c3[C@H](C=C[C@H]4c3c(O[Ge](C34c4ccccc4c4ccccc34)(c3c(cc(cc3C)C)C)c3c(cc(cc3C)C)C)c3ccccc23)C21c1ccccc1c1ccccc21)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.[Ge]1(Oc2c3[C@@H](C=C[C@@H]4c3c(O[Ge](C34c4ccccc4c4ccccc34)(c3c(cc(cc3C)C)C)c3c(cc(cc3C)C)C)c3ccccc23)C21c1ccccc1c1ccccc21)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Reactions of Germenes with Somepara-Quinones: Formation of a Tricyclic Compound from 1,4-Benzoquinone Undergoing an Unexpected Rearrangement†
• Authors of publication: Ghereg, Dumitru; André, Erwan; Ech-Cherif El Kettani, Sakina; Saffon, Nathalie; Lazraq, Mohamed; Ranaivonjatovo, Henri; Gornitzka, Heinz; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Escudié, Jean
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 4849
• a: 11.0136 ± 0.0017 Å
• b: 16.376 ± 0.003 Å
• c: 20.416 ± 0.003 Å
• α: 67.051 ± 0.003°
• β: 89.171 ± 0.003°
• γ: 85.84 ± 0.003°
• Cell volume: 3381.4 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0854
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No