Information card for entry 7152327

Structure parameters

• Common name: CMN82ff
• Formula: C20 H22 Fe N O2 P
• Calculated formula: C20 H22 Fe N O2 P
• SMILES: [Fe]12345678([cH]9[c]2([P@]2(=O)O[C@@H]([C@H](C)N2C)c2ccccc2)[cH]1[cH]5[cH]39)[cH]1[cH]6[cH]7[cH]8[cH]41
• 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: 10.1623 ± 0.0009 Å
• b: 12.0052 ± 0.001 Å
• c: 14.5445 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1774.4 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0242
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No