Information card for entry 1503981

Structure parameters

• Formula: C18 H16 N2 O6
• Calculated formula: C18 H16 N2 O6
• SMILES: C1(=O)C=CC2(C=C1)C(C(=O)N2Cc1cccc(c1)N(=O)=O)C(=O)OCC
• Title of publication: Oxidative carbon-carbon bond formation in the synthesis of bioactive spiro beta-lactams.
• Authors of publication: Liang, Jixuan; Chen, Jingbo; Du, Fengxiang; Zeng, Xianghui; Li, Liang; Zhang, Hongbin
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 13
• Pages of publication: 2820 - 2823
• a: 9.6009 ± 0.0018 Å
• b: 9.9357 ± 0.0019 Å
• c: 10.035 ± 0.0019 Å
• α: 95.531 ± 0.002°
• β: 96.755 ± 0.003°
• γ: 110.311 ± 0.002°
• Cell volume: 881.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1399
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No