Information card for entry 1546021

Structure parameters

• Formula: C15 H15 N O3
• Calculated formula: C15 H15 N O3
• SMILES: O=C1N([C@H]2[C@@H]([C@@H]1C)c1c(C2=O)cccc1C)C(=O)C.O=C1N([C@@H]2[C@H]([C@H]1C)c1c(C2=O)cccc1C)C(=O)C
• Title of publication: Construction of Chiral-Fused Tricyclic γ-Lactams via a trans-Perhydroindolic Acid-Catalyzed Asymmetric Domino Reaction.
• Authors of publication: An, Qianjin; Shen, Jiefeng; Liu, Delong; Liu, Yangang; Zhang, Wanbin
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 11
• Pages of publication: 2925 - 2928
• a: 7.5525 ± 0.0002 Å
• b: 19.9782 ± 0.0005 Å
• c: 8.7575 ± 0.0002 Å
• α: 90°
• β: 101.25 ± 0.001°
• γ: 90°
• Cell volume: 1295.99 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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 all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No