Information card for entry 2200706

Structure parameters

• Formula: C19 H23 N2 O5 P
• Calculated formula: C19 H23 N2 O5 P
• SMILES: [P@](=O)(OCC)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1
• Title of publication: (+)-(3<i>R</i>)-<i>N</i>-Hydroxy-2-[(<i>S</i>)-ethoxy(4-methoxyphenyl)phosphoryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
• Authors of publication: Kiriko Kurokawa; Nobuko Kanehisa; Masaaki Sawa; Hirosato Kondo; Yasushi Kai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: o906 - o908
• a: 10.156 ± 0.002 Å
• b: 19.733 ± 0.001 Å
• c: 9.486 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1901.1 ± 0.4 ų
• Cell temperature: 294.2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.647
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes