Information card for entry 7105331

Structure parameters

• Formula: C18 H24 N O P
• Calculated formula: C18 H24 N O P
• SMILES: c1(ccccc1)[P@](=O)(C(C)(C)C)N[C@H](C)c1ccccc1
• Title of publication: Stereoselective addition of Grignard reagents to new P-chirogenic N-phosphinoylimines.
• Authors of publication: Francesco, Irene Notar; Wagner, Alain; Colobert, Françoise
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 12
• Pages of publication: 2139 - 2141
• a: 8.6513 ± 0.0004 Å
• b: 19.0107 ± 0.001 Å
• c: 10.3315 ± 0.0004 Å
• α: 90°
• β: 90.445 ± 0.002°
• γ: 90°
• Cell volume: 1699.14 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.2114
• Weighted residual factors for all reflections included in the refinement: 0.2243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No