Information card for entry 7225225

Structure parameters

• Formula: C14 H16 F N O3
• Calculated formula: C14 H16 F N O3
• SMILES: Fc1ccc([C@@H]2N(C(=O)C[C@H]2C(=O)O)CCC)cc1.Fc1ccc([C@H]2N(C(=O)C[C@@H]2C(=O)O)CCC)cc1
• Title of publication: The rare cis-configured trisubstituted lactam products obtained by the Castagnoli-Cushman reaction in N,N-dimethylformamide
• Authors of publication: Dar'in, Dmitry; Bakulina, Olga; Nikolskaya, Sofia; Gluzdikov, Ivan; Krasavin, Mikhail
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.9465 ± 0.0016 Å
• b: 15.9223 ± 0.0018 Å
• c: 8.4185 ± 0.0007 Å
• α: 90°
• β: 92.142 ± 0.011°
• γ: 90°
• Cell volume: 1332.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0597
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No