Information card for entry 7110412

Structure parameters

• Formula: C66 H14 F30 N6
• Calculated formula: C66 H14 F30 N6
• SMILES: c12ccc(n1)=C(c1[nH]c(cc1)C(=c1nc(cc1)C(=c1ccc(n1)C(=c1ccc([nH]1)=C(c1ccc(n1)=C2c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: meso-Substituted expanded porphyrins: new and stable hexaphyrins
• Authors of publication: Neves, Maria G. P. M. S.; Martins, Rosália M.; Tomé, Augusto C.; Silvestre, Armando J. D.; Silva, Artur M. S.; Félix, Vitor; Cavaleiro, José A. S.; Drew, Michael G. B.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 4
• Pages of publication: 385
• a: 10.911 Å
• b: 27.242 Å
• c: 19.466 Å
• α: 90°
• β: 90.31°
• γ: 90°
• Cell volume: 5785.94 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2304
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.2094
• Weighted residual factors for all reflections included in the refinement: 0.275
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No