Information card for entry 7109785

Structure parameters

• Formula: C52 H40 Cl6 Co N7 O3
• Calculated formula: C52 H40 Cl6 Co N7 O3
• Title of publication: Biomimic O2 activation hydroxylates a meso-carbon of the porphyrin ring regioselectively under mild conditions
• Authors of publication: Katsunori Yamanishi; Takeshi Yairi; Keisuke Suzuki; Mitsuru Kondo
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 9296
• a: 10.7642 ± 0.0005 Å
• b: 20.7043 ± 0.0012 Å
• c: 22.5542 ± 0.0012 Å
• α: 90°
• β: 96.087 ± 0.003°
• γ: 90°
• Cell volume: 4998.2 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No