Information card for entry 7158792

Structure parameters

• Formula: C19 H21 N3 O3
• Calculated formula: C19 H21 N3 O3
• SMILES: [C@@]123CCCN3[C@H]([C@@H]3[C@H]1C(=O)N(C3=O)CCC)c1c(cccc1)NC2=O.[C@]123CCCN3[C@@H]([C@H]3[C@@H]1C(=O)N(C3=O)CCC)c1c(cccc1)NC2=O
• Title of publication: Synthesis of bridgehead-azacycles <i>via</i> dual C-N/C-C annulation of α-amino acids, aminals and maleimides.
• Authors of publication: Thadem, Nagender; Rajesh, Manda; Balaboina, Harikrishna; Das, Saibal
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• a: 10.6245 ± 0.001 Å
• b: 11.4523 ± 0.0017 Å
• c: 14.3907 ± 0.0019 Å
• α: 90°
• β: 93.884 ± 0.004°
• γ: 90°
• Cell volume: 1747 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0738
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No