Information card for entry 7152326

Structure parameters

• Common name: CHN130FM
• Formula: C32 H31 Fe N O2 P2
• Calculated formula: C32 H31 Fe N O2 P2
• SMILES: [Fe]12345678([c]9([P@]%10(=O)O[C@@H]([C@@H](N%10C)C)c%10ccccc%10)[c]1([cH]2[cH]3[cH]49)P(c1ccccc1)c1ccccc1)[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: 12.0764 ± 0.0012 Å
• b: 13.3216 ± 0.0013 Å
• c: 17.3013 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2783.4 ± 0.5 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: 0.0381
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No