Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1503461
Preview
| Coordinates | 1503461.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21.25 H20.69 O6.1 |
|---|---|
| Calculated formula | C21.25 H20.6935 O6.09675 |
| SMILES | O[C@H]1C[C@@H](OC)c2c(O)ccc3[C@H]4CC(=O)c5c(O)cccc5C4=C1c23.CO.O |
| Title of publication | Hypoxylonols C-F, Benzo[j]fluoranthenes from Hypoxylon truncatum |
| Authors of publication | Fukai, Miyuki; Tsukada, Mariko; Miki, Kazuhiko; Suzuki, Toshihiro; Sugita, Takashi; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka |
| Journal of publication | Journal of natural products |
| Year of publication | 2012 |
| Journal volume | 75 |
| Journal issue | 1 |
| Pages of publication | 22 - 25 |
| a | 8.4841 ± 0.0006 Å |
| b | 35.0879 ± 0.0006 Å |
| c | 12.7693 ± 0.0009 Å |
| α | 90° |
| β | 109.561 ± 0.008° |
| γ | 90° |
| Cell volume | 3581.9 ± 0.4 Å3 |
| Cell temperature | 153.1 K |
| Ambient diffraction temperature | 153.1 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0847 |
| Weighted residual factors for all reflections included in the refinement | 0.231 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 189517 (current) | 2017-01-01 | cif/1/50/ (antanas@kurmis) Marking attached hydrogen atoms in entries 1503040, 1503461, 1503784, 1506291, 1508318. |
1503461.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1503461.cif |
| 137402 | 2015-05-27 | cif/1 Fixing Z values and formulae |
1503461.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503461.cif |
| 37843 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 1503461 via cif-deposit CGI script. |
1503461.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.