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Information card for entry 7158548
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Coordinates | 7158548.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H30 N2 O3 |
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Calculated formula | C35 H30 N2 O3 |
Title of publication | Ring opening and skeletal reconstruction of 3-vinyl benzofuranone-chromone synthons: catalyst-free access to skeletally-diverse 2-pyridone and optically active imidazoline derivatives |
Authors of publication | Wang, Wei-Na; Liu, Ren-Ming; Zhang, Lei; Liu, Xiong-Li; Dai, Yi-Feng; Yu, Zhang-Biao; Peng, Li-Jun |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2022 |
a | 11.56 ± 0.0002 Å |
b | 7.67541 ± 0.00019 Å |
c | 16.0245 ± 0.0003 Å |
α | 90° |
β | 105.743 ± 0.002° |
γ | 90° |
Cell volume | 1368.48 ± 0.05 Å3 |
Cell temperature | 199.99 ± 0.1 K |
Ambient diffraction temperature | 199.99 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0331 |
Residual factor for significantly intense reflections | 0.0326 |
Weighted residual factors for significantly intense reflections | 0.0881 |
Weighted residual factors for all reflections included in the refinement | 0.0889 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7158548.html
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Users of the data should acknowledge the original authors of the
structural data.