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Information card for entry 4110027
Preview
Coordinates | 4110027.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H32 O5 |
---|---|
Calculated formula | C24 H32 O5 |
SMILES | O([C@H]([C@@H]1[C@H](CC(C1)(C(=O)OC)C(=O)OC)C=C1CCCCC1)c1ccccc1)C.O([C@@H]([C@H]1[C@@H](CC(C1)(C(=O)OC)C(=O)OC)C=C1CCCCC1)c1ccccc1)C |
Title of publication | Gold(I)-Catalyzed [2 + 2]-Cycloaddition of Allenenes |
Authors of publication | Michael R. Luzung; Pablo Mauleón; F. Dean Toste |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2007 |
Journal volume | 129 |
Pages of publication | 12402 - 12403 |
a | 7.597 ± 0.003 Å |
b | 10.378 ± 0.004 Å |
c | 15.152 ± 0.006 Å |
α | 99.237 ± 0.007° |
β | 98.206 ± 0.006° |
γ | 94.922 ± 0.006° |
Cell volume | 1159.8 ± 0.8 Å3 |
Cell temperature | 100.2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1271 |
Residual factor for significantly intense reflections | 0.0728 |
Weighted residual factors for all reflections included in the refinement | 0.103 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.821 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4110027.cif |
120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110027.cif |
59221 | 2012-06-05 | cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters. |
4110027.cif |
59116 | 2012-06-03 | smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif |
4110027.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.