Information card for entry 1504626

Structure parameters

• Formula: C18 H17 N O3
• Calculated formula: C18 H17 N O3
• SMILES: O[C@@H](c1ccccc1)[C@H]1CCN(C(=O)c2ccccc2)C1=O.O[C@H](c1ccccc1)[C@@H]1CCN(C(=O)c2ccccc2)C1=O
• Title of publication: Sc3±catalyzed aldol-type additions of N-benzoylcyclopropanecarboxamides via iodide-mediated ring-opening: stereoselective synthesis of gamma-lactams.
• Authors of publication: Wiedemann, Sean H.; Noda, Hidetoshi; Harada, Shinji; Matsunaga, Shigeki; Shibasaki, Masakatsu
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 8
• Pages of publication: 1661 - 1664
• a: 11.598 ± 0.0008 Å
• b: 11.1081 ± 0.0008 Å
• c: 12.3688 ± 0.0008 Å
• α: 90°
• β: 103.11 ± 0.0017°
• γ: 90°
• Cell volume: 1551.96 ± 0.18 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No