Information card for entry 7106304

Structure parameters

• Formula: C19 H19 N3 O3
• Calculated formula: C19 H19 N3 O3
• SMILES: O=C1N2[C@](NCC2)(C[C@@H](c2ccccc2)[C@@H]1N(=O)=O)c1ccccc1.O=C1N2[C@@](NCC2)(C[C@H](c2ccccc2)[C@H]1N(=O)=O)c1ccccc1
• Title of publication: Bicyclization involving pseudo-intramolecular imination with diamines
• Authors of publication: Nagatoshi Nishiwaki; Shotaro Hirao; Jun Sawayama; Kazuhiko Saigo; Kazuya Kobiro
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 4938
• a: 11.51 ± 0.005 Å
• b: 13.619 ± 0.007 Å
• c: 11.172 ± 0.004 Å
• α: 90°
• β: 111.68 ± 0.03°
• γ: 90°
• Cell volume: 1627.4 ± 1.3 ų
• Cell temperature: 298.1 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: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No