Information card for entry 2010829

Structure parameters

• Chemical name: (3R,4S)-3-Phenyl-1-[(R)-1-phenylethyl]-4-[(R)-1-phenylethyliminomethyl]azet idin-2-one
• Formula: C26 H26 N2 O
• Calculated formula: C26 H26 N2 O
• SMILES: O=C1N([C@@H]([C@H]1c1ccccc1)\C=N\[C@H](C)c1ccccc1)[C@H](C)c1ccccc1
• Title of publication: (3<i>R</i>,4<i>S</i>)-3-Phenyl-1-[(<i>R</i>)-1-phenylethyl]-4-[(<i>R</i>)-1-phenylethyliminomethyl]azetidin-2-one
• Authors of publication: Kooijman, Huub; Spek, Anthony L.; Kleijn, Henk; Maanen, Hendrik L. van; Jastrzebski, Johann T. B. H.; Koten, Gerard van
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 481 - 483
• a: 9.4958 ± 0.001 Å
• b: 10.1947 ± 0.0008 Å
• c: 22.124 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2141.8 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.064
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes