Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1506096
Preview
| Coordinates | 1506096.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Chemical name | 7,7'-Dimethyl-1,3,1',3'-tetrahydro-[4,4']biisobenzofuranyl- 5,6,5',6'-tetracarboxylic acid tetramethyl ester |
|---|---|
| Formula | C26 H26 O10 |
| Calculated formula | C26 H26 O10 |
| SMILES | O1Cc2c(c(c(c(c2C1)c1c(c(c(c2c1COC2)C)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C |
| Title of publication | Enantioselective Synthesis of Tetra-ortho-Substituted Axially Chiral Biaryls through Rhodium-Catalyzed Double [2 + 2 + 2] Cycloaddition. |
| Authors of publication | Nishida, Goushi; Suzuki, Nanami; Noguchi, Keiichi; Tanaka, Ken |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 16 |
| Pages of publication | 3489 - 3492 |
| a | 13.352 ± 0.0006 Å |
| b | 13.352 ± 0.0006 Å |
| c | 12.1413 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1874.51 ± 0.16 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 3 |
| Space group number | 145 |
| Hermann-Mauguin space group symbol | P 32 |
| Hall space group symbol | P 32 |
| Residual factor for all reflections | 0.0248 |
| Residual factor for significantly intense reflections | 0.0247 |
| Weighted residual factors for significantly intense reflections | 0.067 |
| Weighted residual factors for all reflections included in the refinement | 0.0671 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 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. |
1506096.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. |
1506096.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506096.cif |
| 47988 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506096 via cif-deposit CGI script. |
1506096.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.