Information card for entry 1504785

Structure parameters

• Formula: C30 H16 Cl8 Fe N6 O8
• Calculated formula: C30 H16 Cl8 Fe N6 O8
• SMILES: [Fe]1234([n]5ccc(Cl)cc5c5[n]1c(cc(Cl)c5)c1[n]2ccc(Cl)c1)[n]1ccc(Cl)cc1c1[n]3c(cc(Cl)c1)c1[n]4ccc(Cl)c1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Highly efficient alkene epoxidation and aziridination catalyzed by iron(II) salt + 4,4',4''-trichloro-2,2':6',2''-terpyridine/4,4''-dichloro-4'-O-PEG-OCH3-2,2':6',2''-terpyridine.
• Authors of publication: Liu, Peng; Wong, Ella Lai-Ming; Yuen, Angella Wing-Hoi; Che, Chi-Ming
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 15
• Pages of publication: 3275 - 3278
• a: 9.931 ± 0.002 Å
• b: 9.983 ± 0.002 Å
• c: 18.837 ± 0.004 Å
• α: 99.01 ± 0.03°
• β: 98.39 ± 0.03°
• γ: 90.87 ± 0.03°
• Cell volume: 1823.4 ± 0.7 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No