Information card for entry 4037735

Structure parameters

• Formula: C14 H13 N O4
• Calculated formula: C14 H13 N O4
• SMILES: c1(c(c(c2c(c1)cccc2)C(=O)OC)N)C(=O)OC
• Title of publication: Cu(I)-Catalyzed Ligand-free Tandem One Pot or Sequential Annulation via Knoevenagel Intermediate: An Entry into Multifunctional Naphthalenes, Phenanthrenes, Quinolines and Benzo[b]carbazoles.
• Authors of publication: Swamy, K. C. Kumara; Sunke, Rajnikanth; Kalyani, Adula
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 7.7957 ± 0.0002 Å
• b: 8.5442 ± 0.0003 Å
• c: 10.0862 ± 0.0003 Å
• α: 68.141 ± 0.003°
• β: 83.048 ± 0.003°
• γ: 88.471 ± 0.003°
• Cell volume: 618.81 ± 0.04 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: 0.0799
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No