Information card for entry 4028351

Structure parameters

• Formula: C22 H16 N2 O6
• Calculated formula: C22 H16 N2 O6
• SMILES: o1c2c(c(O)c(c1=O)C1c3c(OC4=C1C(=O)N(C)C(=O)N4C)cccc3)cccc2
• Title of publication: Nanocrystalline and Reusable ZnO Catalyst for the Assembly of Densely Functionalized 4H-Chromenes in Aqueous Medium via One-Pot Three Component Reactions: A Greener "NOSE" Approach
• Authors of publication: Partha Pratim Ghosh; Asish R. Das
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 6170 - 6181
• a: 7.2522 ± 0.0009 Å
• b: 8.037 ± 0.001 Å
• c: 16.347 ± 0.002 Å
• α: 82.145 ± 0.004°
• β: 85.415 ± 0.004°
• γ: 75.178 ± 0.004°
• Cell volume: 911.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0737
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.2046
• Weighted residual factors for all reflections included in the refinement: 0.2164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.466
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No