Information card for entry 4082482

Structure parameters

• Formula: C15 H18 N O P
• Calculated formula: C15 H18 N O P
• SMILES: N([C@@H](C)c1ccc(OC)cc1)c1c(P)cccc1
• 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: 8.0466 ± 0.0002 Å
• b: 7.6224 ± 0.0002 Å
• c: 11.8986 ± 0.0003 Å
• α: 90°
• β: 106.668 ± 0.003°
• γ: 90°
• Cell volume: 699.13 ± 0.03 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: 0.0276
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No