Information card for entry 7056096

Structure parameters

• Formula: C25 H15 N O8
• Calculated formula: C25 H15 N O8
• SMILES: o1c2c(c(O)c(C(c3c(O)c4ccccc4oc3=O)c3cccc(N(=O)=O)c3)c1=O)cccc2
• Title of publication: Zwitterionic Liquid (ZIL) Coated CuO as an Efficient Catalyst for the Green Syntheses of Bis-Coumarins derivatives via One-Pot Multi-component Reactions Using Mechanochemistry
• Authors of publication: ., Mayank; Singh, Amanpreet; Raj, Pushap; Kaur, Randeep; Singh, Ajnesh; Kaur, Navneet; Singh, Narinder
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 10
• Pages of publication: 3872 - 3881
• a: 9.9725 ± 0.0006 Å
• b: 13.6991 ± 0.0008 Å
• c: 16.1145 ± 0.0009 Å
• α: 76.131 ± 0.003°
• β: 74.391 ± 0.003°
• γ: 84.035 ± 0.003°
• Cell volume: 2056.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1877
• Residual factor for significantly intense reflections: 0.0989
• Weighted residual factors for significantly intense reflections: 0.1657
• Weighted residual factors for all reflections included in the refinement: 0.1874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No