Information card for entry 7152328

Structure parameters

• Formula: C20 H22 Fe N O2 P
• Calculated formula: C20 H22 Fe N O2 P
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)[P@]1(=O)N([C@H]([C@H](O1)c1ccccc1)C)C)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Another side of the oxazaphospholidine oxide chiral ortho-directing group
• Authors of publication: Martins, Nelson; Mateus, Nuno; Vinci, Daniele; Saidi, Ourida; Brigas, Amadeu; Bacsa, John; Xiao, Jianliang
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 20
• Pages of publication: 4036
• a: 5.817 ± 0.0003 Å
• b: 12.8442 ± 0.0007 Å
• c: 23.6728 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1768.71 ± 0.16 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.0334
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No