Information card for entry 4330551

Structure parameters

• Common name: 5,15bis(N-phenylamino)Zn porphyrin
• Formula: C64 H66 N6 O8 Zn
• Calculated formula: C64 H66 N6 O8 Zn
• SMILES: c12=C(Nc3ccccc3)c3ccc4=C(c5ccc6C(=c7ccc8C(=c(n1[Zn]([n]34)([n]78)(n56)([O]1CCCC1)[O]1CCCC1)cc2)c1ccc(cc1)C(=O)OC)Nc1ccccc1)c1ccc(cc1)C(=O)OC.C1CCCO1.C1CCCO1
• Title of publication: Meso-substituted Porphyrin Derivatives via Palladium-Catalyzed Amination Showing Wide Range Visible Absorption: Synthesis and Photophysical Studies
• Authors of publication: Kalliopi Ladomenou; Theodore Lazarides; Manas K. Panda; Georgios Charalambidis; Dimitra Daphnomili; Athanassios G. Coutsolelos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10548 - 10556
• a: 9.6179 ± 0.0019 Å
• b: 12.349 ± 0.003 Å
• c: 13.12 ± 0.003 Å
• α: 85.76 ± 0.03°
• β: 73.31 ± 0.03°
• γ: 77.03 ± 0.03°
• Cell volume: 1454.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.138
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No