Information card for entry 7156337

Structure parameters

• Formula: C30 H30 Br N3 O3
• Calculated formula: C30 H30 Br N3 O3
• 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: 10.5691 ± 0.0018 Å
• b: 12.489 ± 0.002 Å
• c: 13.082 ± 0.002 Å
• α: 113.373 ± 0.005°
• β: 95.324 ± 0.005°
• γ: 113.736 ± 0.005°
• Cell volume: 1384 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1185
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No