Information card for entry 4116549

Structure parameters

• Chemical name: tetra(p-tolyl)porphyrin-Sn-(α-naphthoxy)2
• Formula: C68 H50 N4 O2 Sn
• Calculated formula: C68 H50 N4 O2 Sn
• SMILES: c12=C(c3ccc4=C(c5ccc6C(=c7ccc8C(=c(cc1)n2[Sn]([n]78)(n56)(Oc1cccc2ccccc12)([n]34)Oc1cccc2ccccc12)c1ccc(C)cc1)c1ccc(C)cc1)c1ccc(C)cc1)c1ccc(C)cc1
• Title of publication: Antibody-Metalloporphyrin Catalytic Assembly Mimics Natural Oxidation Enzymes
• Authors of publication: Shai Nimri; Ehud Keinan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 8978 - 8982
• a: 37.73 ± 0.02 Å
• b: 37.73 ± 0.02 Å
• c: 10.323 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12727 ± 11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.2851
• Residual factor for significantly intense reflections: 0.0951
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.2501
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No