Information card for entry 7102251

Structure parameters

• Formula: C12 H20 O2
• Calculated formula: C12 H20 O2
• Title of publication: Palladium-catalyzed 1,3-diol fragmentation: synthesis of omega-dienyl aldehydes.
• Authors of publication: Kimura, Masanari; Mori, Masahiko; Tamaru, Yoshinao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 43
• Pages of publication: 4504 - 4506
• a: 6.9647 ± 0.0009 Å
• b: 7.2634 ± 0.001 Å
• c: 23.219 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1174.6 ± 0.3 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.815
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No