Information card for entry 4515957

Structure parameters

• Common name: NRM010
• Chemical name: NRM010
• Formula: C26 H16 Br2 N2 O3
• Calculated formula: C26 H16 Br2 N2 O3
• SMILES: Brc1ccc(/C(=C(/c2c(c(oc2c2ccccc2)c2ccc(Br)cc2)C#N)C(=O)N)O)cc1
• Title of publication: One-Pot Tandem Approach to Functionalized 3-Hydroxy-2-furanyl-acrylamides.
• Authors of publication: Mupparapu, Nagaraju; Khan, Shahnawaz; Bandhoria, Pankaj; Athimoolam, Shunmuganarayanan; Ahmed, Qazi Naveed
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 5
• Pages of publication: 5445 - 5452
• a: 13.399 ± 0.019 Å
• b: 10.904 ± 0.014 Å
• c: 16.85 ± 0.02 Å
• α: 90°
• β: 112.68 ± 0.02°
• γ: 90°
• Cell volume: 2271 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No