Information card for entry 7050639

Structure parameters

• Formula: C18 H27 O P
• Calculated formula: C18 H27 O P
• SMILES: P(=C(C(O)c1ccccc1)C(C)(C)C)C1CCCCC1
• Title of publication: Reactions of phosphavinyl Grignard reagents with aldehydes: synthesis, characterisation and further reactivity of ?-phosphaallylic alcohols
• Authors of publication: Brym, Markus; Jones, Cameron; Waugh, Mark; Hey-Hawkins, Evamarie; Majoumo, Felecite
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 1614
• a: 12.988 ± 0.003 Å
• b: 14.268 ± 0.003 Å
• c: 18.557 ± 0.004 Å
• α: 90°
• β: 97.76 ± 0.03°
• γ: 90°
• Cell volume: 3407.4 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0915
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No