Information card for entry 7156344

Structure parameters

• Formula: C29 H28 Cl N3 O3
• Calculated formula: C29 H28 Cl 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: 9.933 ± 0.0007 Å
• b: 12.4636 ± 0.0012 Å
• c: 23.3748 ± 0.0016 Å
• α: 93.564 ± 0.003°
• β: 97.108 ± 0.002°
• γ: 113.474 ± 0.002°
• Cell volume: 2614.1 ± 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: 0.1733
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No