Information card for entry 7213225

Structure parameters

• Chemical name: (1R^*^2'R^*^3'S^*^)-(hydroxy)(phenyl)[3'-phenyl-1'-(phenylmethyl)- -2'-aziridinyl]methylphosphonate
• Formula: C24 H26 N O4 P
• Calculated formula: C24 H26 N O4 P
• SMILES: P(=O)(OC)(OC)[C@@](O)([C@@H]1N(Cc2ccccc2)[C@@H]1c1ccccc1)c1ccccc1
• Title of publication: Unusual reactivity of cis-2-benzoyl-1-benzyl-3-phenylaziridine with P-nucleophiles—ring opening vs. the Abramov reaction
• Authors of publication: Wróblewski, Andrzej E.; Maniukiewicz, Waldemar; Karolczak, Wiesława
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 9
• Pages of publication: 1433
• a: 6.116 ± 0.001 Å
• b: 16.34 ± 0.002 Å
• c: 22.124 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2211 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction 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 all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No