Information card for entry 1544539

Structure parameters

• Common name: Gross84 (Sudhakar)
• Formula: C38 H6 Cl2 Cu F15 I4 N4
• Calculated formula: C38 H6 Cl2 Cu F15 I4 N4
• SMILES: Ic1c2=C(c3n4[Cu]56[n]7c(c([n]26)c1I)c(I)c(I)c7=C(c1[n]5c(=C(c4cc3)c2c(F)c(F)c(F)c(F)c2F)cc1)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.ClCCl
• Title of publication: One-Pot Conversion of Fluorophores to Phosphorophores.
• Authors of publication: Soll, Matan; Sudhakar, Kolanu; Fridman, Natalia; Müller, Alexander; Röder, Beate; Gross, Zeev
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 22
• Pages of publication: 5840 - 5843
• a: 20.019 ± 0.0004 Å
• b: 13.865 ± 0.0003 Å
• c: 15.727 ± 0.0006 Å
• α: 90°
• β: 111.499 ± 0.0011°
• γ: 90°
• Cell volume: 4061.5 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.0485
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No