Information card for entry 4067559

Structure parameters

• Formula: C22 H31 O4 P
• Calculated formula: C22 H31 O4 P
• SMILES: CCOC(=O)c1c(C)c(C)c(C(=O)OCC)p1C1(C(=C(C(=C1C)C)C)C)C
• Title of publication: Synthesis of 2,5-Difunctional Phosphaferrocenes
• Authors of publication: Escobar, Aholibama; Mathey, François
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 4
• Pages of publication: 1053
• a: 9.098 ± 0.0003 Å
• b: 10.0408 ± 0.0003 Å
• c: 12.7079 ± 0.0004 Å
• α: 110.535 ± 0.002°
• β: 94.298 ± 0.002°
• γ: 99.804 ± 0.002°
• Cell volume: 1059.77 ± 0.06 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0944
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No