Information card for entry 4087718

Structure parameters

• Common name: L10 in manuscript
• Formula: C54 H60 O8 P2
• Calculated formula: C54 H60 O8.152 P2
• Title of publication: Synthesis of Adipic Aldehyde by n-Selective Hydroformylation of 4-Pentenal
• Authors of publication: Mormul, Jaroslaw; Mulzer, Michael; Rosendahl, Tobias; Rominger, Frank; Limbach, Michael; Hofmann, Peter
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 16
• Pages of publication: 4102
• a: 10.3454 ± 0.0009 Å
• b: 13.9408 ± 0.0012 Å
• c: 18.1284 ± 0.0015 Å
• α: 67.6136 ± 0.0016°
• β: 84.779 ± 0.002°
• γ: 81.66 ± 0.002°
• Cell volume: 2390.1 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No