Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4104983
Preview
| Coordinates | 4104983.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H26 O4 |
|---|---|
| Calculated formula | C14 H26 O4 |
| Title of publication | Concise Syntheses of the Natural Products (+)-Sylvaticin and (+)-cis-Sylvaticin |
| Authors of publication | Timothy J. Donohoe; Robert M. Harris; Oliver Williams; Gráinne C. Hargaden; Jeremy Burrows; Jeremy Parker |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 12854 - 12861 |
| a | 19.4191 ± 0.0002 Å |
| b | 19.4191 ± 0.0002 Å |
| c | 16.2612 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6132.12 ± 0.12 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Sample thermal history | The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis. |
| Number of distinct elements | 3 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0551 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for all reflections | 0.0605 |
| Weighted residual factors for significantly intense reflections | 0.0468 |
| Weighted residual factors for all reflections included in the refinement | 0.0468 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4104983.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4104983.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4104983.cif |
| 30160 | 2011-11-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4104983 via cif-deposit CGI script. |
4104983.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.