Information card for entry 7050638

Structure parameters

• Formula: C30 H42 O8 P2 W2
• Calculated formula: C30 H42 O8 P2 W2
• SMILES: [C@@H]1(C(C)(C)C)[P]2(C3CCCCC3)[W]1(C#[O])(C#[O])(C#[O])(C#[O])[P]1([C@@H](C(C)(C)C)[W]21(C#[O])(C#[O])(C#[O])C#[O])C1CCCCC1.[C@H]1(C(C)(C)C)[P]2(C3CCCCC3)[W]1(C#[O])(C#[O])(C#[O])(C#[O])[P]1([C@H](C(C)(C)C)[W]21(C#[O])(C#[O])(C#[O])C#[O])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: 25.598 ± 0.005 Å
• b: 9.467 ± 0.0019 Å
• c: 17.439 ± 0.004 Å
• α: 90°
• β: 125.82 ± 0.03°
• γ: 90°
• Cell volume: 3426.8 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No