Information card for entry 4082483

Structure parameters

• Formula: C16 H16 N O P
• Calculated formula: C16 H16 N O P
• SMILES: N1(C=Pc2ccccc12)[C@@H](C)c1ccc(cc1)OC
• Title of publication: Enantiomerically Pure N Chirally Substituted 1,3-Benzazaphospholes: Synthesis, Reactivity towardtBuLi, and Conversion to Functionalized Benzazaphospholes and Catalytically Useful Dihydrobenzazaphospholes
• Authors of publication: Ghalib, Mohammed; Jones, Peter G.; Lysenko, Sergej; Heinicke, Joachim W.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 3
• Pages of publication: 804
• a: 7.71 ± 0.0003 Å
• b: 8.008 ± 0.0004 Å
• c: 11.3519 ± 0.0004 Å
• α: 90°
• β: 94.838 ± 0.005°
• γ: 90°
• Cell volume: 698.39 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0427
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No