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Information card for entry 7160395
Preview
| Coordinates | 7160395.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H26 O2 |
|---|---|
| Calculated formula | C16 H26 O2 |
| Title of publication | Total synthesis of (±)-halichonine B. |
| Authors of publication | Yoshimura, Fumihiko; Uchida, Masaya; Aratame, Kaori; Ouchi, Hitoshi; Inai, Makoto; Kondo, Mitsuru; Takita, Ryo; Kan, Toshiyuki |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2025 |
| Journal volume | 23 |
| Journal issue | 13 |
| Pages of publication | 3076 - 3080 |
| a | 6.1426 ± 0.0001 Å |
| b | 9.4202 ± 0.0003 Å |
| c | 13.5004 ± 0.0004 Å |
| α | 110.304 ± 0.003° |
| β | 90.564 ± 0.002° |
| γ | 98.95 ± 0.002° |
| Cell volume | 722.01 ± 0.04 Å3 |
| Cell temperature | 173.01 ± 0.1 K |
| Ambient diffraction temperature | 173.01 ± 0.1 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 | 0.0529 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.1466 |
| Weighted residual factors for all reflections included in the refinement | 0.1496 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299110 (current) | 2025-04-05 | cif/ Updating files of 7160395 Original log message: Adding full bibliography for 7160395.cif. |
7160395.cif |
| 297898 | 2025-02-27 | cif/ Adding structures of 7160395 via cif-deposit CGI script. |
7160395.cif |
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Users of the data should acknowledge the original authors of the
structural data.