Information card for entry 1544538

Structure parameters

• Common name: Gross82 (Sudhakar)
• Formula: C37.66667 H8.66667 Au Cl2 F15 N4
• Calculated formula: C37.6667 H8.66667 Au Cl2 F15 N4
• SMILES: [Au]123[n]4c5C(=c6n1c(=C(c1n2c(cc1)c1n3c(C(=c4cc5)c2c(F)c(F)c(F)c(F)c2F)cc1)c1c(F)c(F)c(F)c(F)c1F)cc6)c1c(F)c(F)c(F)c(F)c1F.ClC(Cl)Cl
• 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: 21.092 ± 0.002 Å
• b: 21.092 ± 0.002 Å
• c: 45.876 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20409 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No