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Information card for entry 1506097
Preview
| Coordinates | 1506097.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Chemical name | 6,6'-Bis-acetoxymethyl-2,3,2',3'-tetrahydro-1H,1'H-[5,5']biindenyl- 4,7,4',7'-tetracarboxylic acid tetraethyl ester |
|---|---|
| Formula | C32 H34 O12 |
| Calculated formula | C32 H34 O12 |
| SMILES | O(Cc1c(c(c2c(c1C(=O)OC)CCC2)C(=O)OC)c1c(c(c2c(c1C(=O)OC)CCC2)C(=O)OC)COC(=O)C)C(=O)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 | 10.5522 ± 0.0006 Å |
| b | 13.1153 ± 0.0006 Å |
| c | 21.9409 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3036.5 ± 0.3 Å3 |
| Cell temperature | 223 K |
| Ambient diffraction temperature | 223 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0525 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.1061 |
| Weighted residual factors for all reflections included in the refinement | 0.1176 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| 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. |
1506097.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. |
1506097.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. |
1506097.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506097.cif |
| 47989 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506097 via cif-deposit CGI script. |
1506097.cif |
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Users of the data should acknowledge the original authors of the
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