Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1507866
Preview
| Coordinates | 1507866.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H22 O9 |
|---|---|
| Calculated formula | C17 H22 O9 |
| SMILES | O[C@H]1[C@@]23O[C@H]4OC[C@@H]5[C@]([C@@H]3[C@H]4OCOC)(C[C@@H](OC5=O)[C@@]2(OC1=O)C)C.O[C@@H]1[C@]23O[C@@H]4OC[C@H]5[C@@]([C@H]3[C@@H]4OCOC)(C[C@H](OC5=O)[C@]2(OC1=O)C)C |
| Title of publication | Kinetically controlled one-pot formation of DEFGH-rings of type B physalins through domino-type transformations. |
| Authors of publication | Morita, Masaki; Hirai, Go; Ohkubo, Megumi; Koshino, Hiroyuki; Hashizume, Daisuke; Maruoka, Keiji; Sodeoka, Mikiko |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 13 |
| Pages of publication | 3434 - 3437 |
| a | 12.793 ± 0.0002 Å |
| b | 9.40847 ± 0.00017 Å |
| c | 14.6746 ± 0.0003 Å |
| α | 90° |
| β | 113.349 ± 0.0007° |
| γ | 90° |
| Cell volume | 1621.63 ± 0.05 Å3 |
| Cell temperature | 140 K |
| Ambient diffraction temperature | 140 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 | 0.0429 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0848 |
| Weighted residual factors for all reflections included in the refinement | 0.0862 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1507866.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1507866.cif |
| 113486 | 2014-05-13 | cif/ Updating files of 1507866 Original log message: Adding full bibliography for 1507866.cif. |
1507866.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507866.cif |
| 62352 | 2012-07-07 | cif/ Adding structures of 1507866 via cif-deposit CGI script. |
1507866.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.