Information card for entry 7156342

Structure parameters

• Formula: C25 H22 Br2 N2 O2
• Calculated formula: C25 H22 Br2 N2 O2
• 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: 6.8119 ± 0.0012 Å
• b: 15.187 ± 0.003 Å
• c: 22.922 ± 0.004 Å
• α: 90°
• β: 98.315 ± 0.005°
• γ: 90°
• Cell volume: 2346.4 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1449
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No