Information card for entry 7156338

Structure parameters

• Formula: C25 H22 Br N3 O4
• Calculated formula: C25 H22 Br N3 O4
• Title of publication: Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.
• Authors of publication: Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 32
• Pages of publication: 5816 - 5822
• a: 6.8547 ± 0.0015 Å
• b: 15.209 ± 0.003 Å
• c: 23.124 ± 0.005 Å
• α: 90°
• β: 98.52°
• γ: 90°
• Cell volume: 2384.1 ± 0.9 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: 0.2521
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.1701
• Weighted residual factors for all reflections included in the refinement: 0.2262
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No