Information card for entry 4115770

Structure parameters

• Formula: C59 H75.5 Cl4 Co N6 O14.25
• Calculated formula: C59 H75 Cl4 Co N6 O14.25
• Title of publication: Three-Point versus Two-Point Attachment of (R)- and (S)-Amino Acid Methyl Esters to a Cobalt(III) Chiroporphyrin: Implications for the Analysis of Amino Acid Enantiomers by 1H NMR Spectroscopy
• Authors of publication: Magalie Claeys-Bruno; Dawn Toronto; Jacques Pécaut; Michel Bardet; Jean-Claude Marchon
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 11067 - 11068
• a: 13.24 ± 0.003 Å
• b: 13.96 ± 0.003 Å
• c: 19.037 ± 0.004 Å
• α: 71.581 ± 0.004°
• β: 77.543 ± 0.004°
• γ: 75.193 ± 0.004°
• Cell volume: 3192.4 ± 1.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.2642
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.215
• Goodness-of-fit parameter for all reflections included in the refinement: 0.79
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No