Information card for entry 1507268

Structure parameters

• Formula: C29 H7 F15 N2
• Calculated formula: C29 H7 F15 N2
• SMILES: Fc1c(c(F)c(F)c(F)c1F)C(c1ccc[nH]1)=c1ccc(n1)C(=C\c1c(F)c(F)c(F)c(F)c1F)\c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Easy preparation of cobalt corrole and hexaphyrin and isolation of new oligopyrroles in the solvent-free condensation of pyrrole with pentafluorobenzaldehyde.
• Authors of publication: Simkhovich, Liliya; Goldberg, Israel; Gross, Zeev
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 8
• Pages of publication: 1241 - 1244
• a: 11.805 ± 0.0007 Å
• b: 7.016 ± 0.0005 Å
• c: 15.317 ± 0.001 Å
• α: 90°
• β: 102.9 ± 0.002°
• γ: 90°
• Cell volume: 1236.6 ± 0.14 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No