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Information card for entry 1518488
Preview
Coordinates | 1518488.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H16 O5 |
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Calculated formula | C16 H16 O5 |
SMILES | O1[C@H]2c3ccccc3C=C[C@@H]1CC2(C(=O)OC)C(=O)OC.O1[C@@H]2c3ccccc3C=C[C@H]1CC2(C(=O)OC)C(=O)OC |
Title of publication | Lewis Acid catalyzed intramolecular [3 + 2] cross cycloadditions of cobalt-alkynylcyclopropane 1,1-diesters with carbonyls for construction of medium-sized and polycyclic skeletons. |
Authors of publication | Zhang, Junhui; Xing, Siyang; Ren, Jun; Jiang, Shende; Wang, Zhongwen |
Journal of publication | Organic letters |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 2 |
Pages of publication | 218 - 221 |
a | 14.969 ± 0.008 Å |
b | 7.307 ± 0.004 Å |
c | 12.761 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1395.8 ± 1.3 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 3 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0386 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.0664 |
Weighted residual factors for all reflections included in the refinement | 0.0684 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 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. |
1518488.cif |
130820 | 2015-02-04 | cif/ Updating files of 1518487, 1518488, 1518489 Original log message: Adding full bibliography for 1518487--1518489.cif. |
1518488.cif |
129267 | 2014-12-30 | cif/ Adding structures of 1518488 via cif-deposit CGI script. |
1518488.cif |
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Users of the data should acknowledge the original authors of the
structural data.