Information card for entry 7112070

Structure parameters

• Formula: C20 H19 F N2 O3
• Calculated formula: C20 H19 F N2 O3
• SMILES: c1(ccc(cc1)c1c(C[C@@H](C(=O)OC)NC(=O)C)c2ccccc2[nH]1)F
• Title of publication: A mild and selective Pd-mediated methodology for the synthesis of highly fluorescent 2-arylated tryptophans and tryptophan-containing peptides: a catalytic role for Pd0 nanoparticles?
• Authors of publication: Thomas J. Williams; Alan J. Reay; Adrian C. Whitwood; Ian J. S. Fairlamb
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 3052
• a: 21.0404 ± 0.0011 Å
• b: 21.0404 ± 0.0011 Å
• c: 10.4652 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4012.2 ± 0.4 ų
• Cell temperature: 110 ± 0.1 K
• Ambient diffraction temperature: 110 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No