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Information card for entry 7159394
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Coordinates | 7159394.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H18 O4 |
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Calculated formula | C21 H18 O4 |
Title of publication | (3 + 3) Annulation of acetoxy allenoates with enolisable carbonyl substrates leading to fused pyrans. |
Authors of publication | Debnath, Shubham; Chauhan, Sachin; Kumara Swamy, K. C. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2023 |
Journal volume | 21 |
Journal issue | 24 |
Pages of publication | 5021 - 5032 |
a | 8.239 ± 0.0002 Å |
b | 8.5305 ± 0.0002 Å |
c | 12.8575 ± 0.0003 Å |
α | 72.914 ± 0.002° |
β | 83.275 ± 0.002° |
γ | 75.314 ± 0.002° |
Cell volume | 834.67 ± 0.04 Å3 |
Cell temperature | 297.1 K |
Ambient diffraction temperature | 297.1 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0538 |
Residual factor for significantly intense reflections | 0.0416 |
Weighted residual factors for significantly intense reflections | 0.1079 |
Weighted residual factors for all reflections included in the refinement | 0.117 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7159394.html
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