Information card for entry 7154194

Structure parameters

• Common name: hydroxy(3-nitrophenyl)methyl)phosphinate
• Formula: C15 H19 N2 O5 P
• Calculated formula: C15 H19 N2 O5 P
• SMILES: P(=O)([O-])[C@@H](O)c1cccc(c1)N(=O)=O.[NH3+][C@H](c1ccccc1)C
• Title of publication: Determination of the absolute configuration of phosphinic analogues of glutamate.
• Authors of publication: Commare, Bruno; Rigault, Delphine; Lemasson, Isabelle A.; Deschamps, Patrick; Tomas, Alain; Roussel, Pascal; Brabet, Isabelle; Goudet, Cyril; Pin, Jean-Philippe; Leroux, Frédéric R; Colobert, Françoise; Acher, Francine C.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 4
• Pages of publication: 1106 - 1112
• a: 12.2471 ± 0.0006 Å
• b: 5.6271 ± 0.0003 Å
• c: 13.2223 ± 0.0006 Å
• α: 90°
• β: 112.39 ± 0.002°
• γ: 90°
• Cell volume: 842.53 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No