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Information card for entry 1545327
Preview
| Coordinates | 1545327.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30.5 H30 N2 O4.5 |
|---|---|
| Calculated formula | C30.5 H30 N2 O4.5 |
| Title of publication | An Asymmetric Organocatalysis Approach to the Prenylated Alkaloid Family. |
| Authors of publication | Rees, Matthew; Simpkins, Nigel S.; Male, Louise |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 6 |
| Pages of publication | 1338 - 1341 |
| a | 8.7385 ± 0.0001 Å |
| b | 8.77985 ± 0.00012 Å |
| c | 65.4284 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5019.84 ± 0.1 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0484 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1081 |
| Weighted residual factors for all reflections included in the refinement | 0.1085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1545327.cif |
| 194880 | 2017-04-04 | cif/ Updating files of 1545327 Original log message: Adding full bibliography for 1545327.cif. |
1545327.cif |
| 192672 | 2017-03-02 | cif/ Adding structures of 1545327 via cif-deposit CGI script. |
1545327.cif |
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Users of the data should acknowledge the original authors of the
structural data.