Information card for entry 1507269

Structure parameters

• Formula: C57 H26 Co F15 N5 P
• Calculated formula: C57 H26 Co F15 N5 P
• SMILES: c12ccc3C(=c4ccc5=C(c6ccc7=C(c8ccc1n8[Co](n23)(n45)([n]67)[P](c1ccccc1)(c1ccccc1)c1ccccc1)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.CC#N
• 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: 25.451 ± 0.0001 Å
• b: 13.456 ± 0.0002 Å
• c: 28.128 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9633 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1135
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No