Information card for entry 1517085

Structure parameters

• Formula: C20 H20 N2 O5
• Calculated formula: C20 H20 N2 O5
• SMILES: N(=C(c1ccccc1)C(=O)c1ccccc1)N(C(=O)OCC)C(=O)OCC
• Title of publication: Reaction of diaryl-1,2-diones with triphenylphosphine and diethyl azodicarboxylate leading to N,N-dicarboethoxy monohydrazones via a novel rearrangement.
• Authors of publication: Nair, Vijay; Biju, A. T.; Abhilash, K. G.; Menon, Rajeev S.; Suresh, Eringathodi
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 11
• Pages of publication: 2121 - 2123
• a: 9.1575 ± 0.0014 Å
• b: 13.84 ± 0.002 Å
• c: 14.879 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1885.8 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0473
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No