Information card for entry 7103466

Structure parameters

• Formula: C11 H21 O2 P
• Calculated formula: C11 H21 O2 P
• SMILES: P1(=O)C(O)=C(C1C(C)(C)C)C(C)(C)C
• Title of publication: A stable enol in small ring systems: clear differentiation between penta- and tri-valency of phosphorus atoms.
• Authors of publication: Ionkin, Alex S; Marshall, William J; Fish, Brian M; Schiffhauer, Matthew F; McEwen, Charles N
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 42
• Pages of publication: 5432 - 5434
• a: 6.197 ± 0.0004 Å
• b: 8.5935 ± 0.0005 Å
• c: 11.9624 ± 0.0007 Å
• α: 79.0472 ± 0.001°
• β: 85.1087 ± 0.0011°
• γ: 80.204 ± 0.001°
• Cell volume: 615.4 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0322
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No