Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1507414
Preview
| Coordinates | 1507414.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C16 H22 O6 |
|---|---|
| Calculated formula | C16 H22 O6 |
| SMILES | C1(=O)[C@]2(C(=O)OC)CCC(=C(C)[C@@H]2CO1)[C@@H]1COC(C)(C)O1 |
| Title of publication | Studies on the synthesis of gymnodimine. construction of the spiroimine portion via Diels-Alder cycloaddition. |
| Authors of publication | White, James D.; Wang, Guoqiang; Quaranta, Laura |
| Journal of publication | Organic letters |
| Year of publication | 2003 |
| Journal volume | 5 |
| Journal issue | 26 |
| Pages of publication | 4983 - 4986 |
| a | 9.4202 ± 0.0008 Å |
| b | 6.8832 ± 0.0006 Å |
| c | 12.5381 ± 0.0009 Å |
| α | 90° |
| β | 101.54 ± 0.009° |
| γ | 90° |
| Cell volume | 796.55 ± 0.12 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 2 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 all reflections | 0.0334 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0874 |
| Weighted residual factors for all reflections included in the refinement | 0.0878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288313 (current) | 2023-12-14 | cif/1/50/74/ Changed an atom site label in entry 1507414 from '05' to 'O5' in multiple data loops for consistency and readability. |
1507414.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1507414.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. |
1507414.cif |
| 131991 | 2015-02-18 | cif/1/ (antanas@koala.ibt.lt) Removing extra trailing '�%' repetitions from 38 CIFs in 1/50/. |
1507414.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507414.cif |
| 53904 | 2012-04-20 | cif/ Adding structures of 1507414 via cif-deposit CGI script. |
1507414.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.