Information card for entry 1544537

Structure parameters

• Common name: Gross77 (Matan)
• Formula: C49 H10 Au F15 I4 N4
• Calculated formula: C49 H10 Au F15 I4 N4
• SMILES: [Au]123n4c5c6n3c(C(=c3[n]2c(C(=c2n1c(=C(c4c(I)c5I)c1c(F)c(F)c(F)c(F)c1F)cc2)c1c(F)c(F)c(F)c(F)c1F)cc3)c1c(F)c(F)c(F)c(F)c1F)c(I)c6I.c1ccccc1.c1ccccc1
• 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: 7.33 ± 0.02 Å
• b: 22.65 ± 0.05 Å
• c: 28.2 ± 0.11 Å
• α: 90°
• β: 101.877 ± 0.013°
• γ: 90°
• Cell volume: 4582 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.1166
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1895
• Weighted residual factors for all reflections included in the refinement: 0.2132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No