Information card for entry 1556128

Structure parameters

• Formula: C15 H20 N4 O4
• Calculated formula: C15 H20 N4 O4
• SMILES: c1(ccccc1)COC(=O)N[C@@H]1C(=O)N(CCC1)N(C(=O)N)C
• Title of publication: An access to aza-Freidinger lactams and E-locked analogs.
• Authors of publication: Ottersbach, Philipp A.; Schmitz, Janina; Schnakenburg, Gregor; Gütschow, Michael
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 448 - 451
• a: 10.49 ± 0.003 Å
• b: 10.995 ± 0.002 Å
• c: 13.995 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1614.1 ± 0.7 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: 0.09
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No