Information card for entry 7104673

Structure parameters

• Formula: C80.5 H79 Cl Ge2 O6
• Calculated formula: C80.5 H79 Cl Ge2 O6
• Title of publication: An isolable o-quinodimethane and its fixation of molecular oxygen to give an endoperoxide.
• Authors of publication: Ghereg, Dumitru; Ech-Cherif El Kettani, Sakina; Lazraq, Mohamed; Ranaivonjatovo, Henri; Schoeller, Wolfgang W; Escudié, Jean; Gornitzka, Heinz
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 32
• Pages of publication: 4821 - 4823
• a: 13.9981 ± 0.0007 Å
• b: 24.1749 ± 0.0011 Å
• c: 19.9318 ± 0.001 Å
• α: 90°
• β: 99.962 ± 0.003°
• γ: 90°
• Cell volume: 6643.3 ± 0.6 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: 0.1173
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No