Information card for entry 7225230

Structure parameters

• Formula: C15 H19 N O4
• Calculated formula: C15 H19 N O4
• SMILES: O=C1N([C@H]([C@H](C1)C(=O)O)c1ccc(OC)cc1)C(C)C
• 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: 10.62011 ± 0.00017 Å
• b: 11.1647 ± 0.0002 Å
• c: 11.78218 ± 0.00019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1397.02 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No