Information card for entry 1505816

Structure parameters

• Formula: C21 H24 Fe N O2 P
• Calculated formula: C21 H24 Fe N O2 P
• SMILES: c1ccccc1[C@@H]1[C@H](C)N(C)[P@@](=O)([c]23[c]4([cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]2[cH]7[cH]8[cH]93)C)O1
• Title of publication: Oxazaphospholidine-oxide as an efficient ortho-directing group for the diastereoselective deprotonation of ferrocene.
• Authors of publication: Vinci, Daniele; Mateus, Nuno; Wu, Xiaofeng; Hancock, Fred; Steiner, Alexander; Xiao, Jianliang
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 215 - 218
• a: 11.2546 ± 0.0012 Å
• b: 7.2839 ± 0.0008 Å
• c: 23.607 ± 0.003 Å
• α: 90°
• β: 102.734 ± 0.002°
• γ: 90°
• Cell volume: 1887.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No