Information card for entry 1506043

Structure parameters

• Formula: C39.5 H39 F8 N6 O4
• Calculated formula: C40.04 H35 F8 N6 O4
• Title of publication: Efficient microwave-assisted synthesis of amine-substituted tetrakis(pentafluorophenyl)porphyrin.
• Authors of publication: Samaroo, Diana; Soll, Clifford E.; Todaro, Louis J.; Drain, Charles M.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 22
• Pages of publication: 4985 - 4988
• a: 10.75 ± 0.002 Å
• b: 10.912 ± 0.002 Å
• c: 17.685 ± 0.004 Å
• α: 91.03 ± 0.03°
• β: 104.31 ± 0.03°
• γ: 107.76 ± 0.03°
• Cell volume: 1904.5 ± 0.8 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 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: 0.1233
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No