Information card for entry 1507880

Structure parameters

• Formula: C51 H36 F6 Mn N4 Sb
• Calculated formula: C51 H36 F6 Mn N4 Sb
• SMILES: c12C(=c3ccc4=C(c5ccc6=C(c7ccccc7)c7ccc8C(=c(cc1)[n]2[Mn]([n]56)(n78)n34)c1ccccc1)c1ccccc1)c1ccccc1.F[Sb](F)(F)(F)([F-])F.c1(ccccc1)C
• Title of publication: Manganese porphyrin catalyzed cycloisomerization of enynes.
• Authors of publication: Ozawa, Takuya; Kurahashi, Takuya; Matsubara, Seijiro
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 3008 - 3011
• a: 10.575 ± 0.004 Å
• b: 15.748 ± 0.007 Å
• c: 13.296 ± 0.006 Å
• α: 90°
• β: 99.848 ± 0.007°
• γ: 90°
• Cell volume: 2181.6 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No