Information card for entry 7156340

Structure parameters

• Formula: C24 H20 Br Cl N2 O2
• Calculated formula: C24 H20 Br Cl 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: 9.2635 ± 0.0005 Å
• b: 11.3364 ± 0.0006 Å
• c: 11.3467 ± 0.0006 Å
• α: 86.529 ± 0.002°
• β: 72.466 ± 0.002°
• γ: 78.713 ± 0.002°
• Cell volume: 1114.23 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No