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Information card for entry 4038480
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Coordinates | 4038480.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H18 Br3 N O3 |
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Calculated formula | C26 H18 Br3 N O3 |
Title of publication | One-Pot Aldol Cascade for the Preparation of Isospiropyrans, Flavylium Salts and bis-Spiropyrans. |
Authors of publication | Neal, Taylor A.; Eippert, Allyson B.; Chivington, Austin; Jamison, Andrew; Chukwuma, Chukwunalu; Moore, Curtis E.; Neal, Jennifer F.; Allen, Heather C.; Wysocki, Laura M.; Paul, Noel Michael; Badjic, Jovica D. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2020 |
a | 11.0228 ± 0.0006 Å |
b | 9.1224 ± 0.0006 Å |
c | 22.8268 ± 0.0014 Å |
α | 90° |
β | 95.723 ± 0.002° |
γ | 90° |
Cell volume | 2283.9 ± 0.2 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0548 |
Residual factor for significantly intense reflections | 0.0394 |
Weighted residual factors for significantly intense reflections | 0.0856 |
Weighted residual factors for all reflections included in the refinement | 0.0907 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
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/4038480.html
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Users of the data should acknowledge the original authors of the
structural data.