Information card for entry 4085002

Structure parameters

• Formula: C26 H36 N O P
• Calculated formula: C26 H36 N O P
• SMILES: P([C@@H](c1ccccc1)C(C1OC[C@@H](N=1)C(C)C)(C)C)(c1c(cc(cc1C)C)C)C
• Title of publication: Reaction of an Enantiomerically Pure Phosphaalkene-Oxazoline with MeM Nucleophiles (M = Li and MgBr): Stereoselectivity and Noninnocence of the P-Mesityl Substituent
• Authors of publication: Serin, Spencer C.; Patrick, Brian O.; Dake, Gregory R.; Gates, Derek P.
• Journal of publication: Organometallics
• Year of publication: 2014
• Pages of publication: 141201152116001
• a: 7.1579 ± 0.0006 Å
• b: 16.0676 ± 0.0012 Å
• c: 20.6457 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2374.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No