Information card for entry 4127005

Structure parameters

• Formula: C24 H31 B N O4 P
• Calculated formula: C24 H31 B N O4 P
• SMILES: [P]1(c2c(cccc2)c2c1cccc2)(CC[C@@H](C(=O)OCC=C)NC(=O)OC(C)(C)C)[BH3]
• Title of publication: Phospholyl(borane) amino acids and peptides: Stereoselective synthesis and fluorescent properties with large Stokes shift.
• Authors of publication: Arribat, Mathieu; Rémond, Emmanuelle; Clément, Sébastien; Lee, Arie Van Der; Cavelier, Florine
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 9.58533 ± 0.00017 Å
• b: 13.1682 ± 0.0002 Å
• c: 19.2463 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2429.3 ± 0.07 ų
• Cell temperature: 175 K
• Ambient diffraction temperature: 175 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0402
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No