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Information card for entry 7155970
Preview
| Coordinates | 7155970.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H22 N2 O4 |
|---|---|
| Calculated formula | C24 H22 N2 O4 |
| Title of publication | Acid-Catalyzed Reaction of 2-Hydroxycyclobutanone with Benzylic Alcohols |
| Authors of publication | Secci, Francesco; Guillot, Régis; Aitken, David J.; Frongia, Angelo; Arca, Massimiliano; Sarais, Giorgia; Luridiana, Alberto; Martis, Alberto |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2017 |
| a | 19.2545 ± 0.0011 Å |
| b | 15.5146 ± 0.001 Å |
| c | 13.4314 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4012.3 ± 0.4 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.1268 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.1431 |
| Weighted residual factors for all reflections included in the refinement | 0.1918 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203100 (current) | 2017-11-11 | cif/ Adding structures of 7155970 via cif-deposit CGI script. |
7155970.cif |
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Users of the data should acknowledge the original authors of the
structural data.