Information card for entry 4067971

Structure parameters

• Formula: C51.5 H83 As Ge N O
• Calculated formula: C51.5 H83 As Ge N O
• SMILES: [As](=C1[Ge@@](ON([C@@H]1c1ccccc1)C(C)(C)C)(C(C)(C)C)c1c(C(C)C)cc(cc1C(C)C)C(C)C)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C.[As](=C1[Ge@](ON([C@H]1c1ccccc1)C(C)(C)C)(C(C)(C)C)c1c(C(C)C)cc(cc1C(C)C)C(C)C)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C.CCCCC
• Title of publication: Versatile 1,2- and 1,3-Dipole Behavior of the 1-Arsa-3-Germaallene Tip(t-Bu)Ge═C═AsMes*: Formation of a Heterocyclic Arsa(germa)carbene (AsGeHC)
• Authors of publication: Ghereg, Dumitru; Sotiropoulos, Jean-Marc; Escudié, Jean; Miqueu, Karinne; Matioszek, Dimitri; Ladeira, Sonia; Saffon-Merceron, Nathalie
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 930
• a: 11.0351 ± 0.0005 Å
• b: 12.2305 ± 0.0006 Å
• c: 20.1455 ± 0.001 Å
• α: 98.138 ± 0.001°
• β: 100.002 ± 0.001°
• γ: 105.776 ± 0.001°
• Cell volume: 2525.1 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No