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Information card for entry 4033994
Preview
| Coordinates | 4033994.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H17 O2 |
|---|---|
| Calculated formula | C14 H17 O2 |
| Title of publication | Formal Synthesis of (±)-Pentalenolactone A Methyl Ester. |
| Authors of publication | Niu, Guang-Hao; Liu, Pin-Heng; Hung, Wei-Chun; Tseng, Ping-Yao; Chuang, Gary Jing |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2019 |
| Journal volume | 84 |
| Journal issue | 16 |
| Pages of publication | 10172 - 10182 |
| a | 7.6989 ± 0.0002 Å |
| b | 14.1778 ± 0.0003 Å |
| c | 12.0083 ± 0.0003 Å |
| α | 90° |
| β | 105.433 ± 0.002° |
| γ | 90° |
| Cell volume | 1263.48 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.16 |
| Residual factor for significantly intense reflections | 0.1031 |
| Weighted residual factors for significantly intense reflections | 0.2106 |
| Weighted residual factors for all reflections included in the refinement | 0.2306 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 222562 (current) | 2019-11-04 | cif/ Adding structures of 4033994 via cif-deposit CGI script. |
4033994.cif |
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