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Information card for entry 7151827
Preview
Coordinates | 7151827.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H20 O3 |
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Calculated formula | C15 H20 O3 |
SMILES | O=C1C[C@H]2CCC[C@]34[C@@](O)(CCC1=C24)CC[C@@H]3O.O=C1C[C@@H]2CCC[C@@]34[C@](O)(CCC1=C24)CC[C@H]3O |
Title of publication | Vinylogous anionic processes in the formation and interconversion of tetracyclic ring systems. |
Authors of publication | Thornton, Paul D.; Cameron, T. Stanley; Burnell, D. Jean |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2011 |
Journal volume | 9 |
Journal issue | 9 |
Pages of publication | 3447 - 3456 |
a | 11.2484 ± 0.0009 Å |
b | 8.5765 ± 0.0005 Å |
c | 12.9938 ± 0.0009 Å |
α | 90° |
β | 105.921 ± 0.003° |
γ | 90° |
Cell volume | 1205.45 ± 0.15 Å3 |
Cell temperature | 120.1 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for significantly intense reflections | 0.0364 |
Weighted residual factors for all reflections included in the refinement | 0.0452 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7151827.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151827.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151827.cif |
21283 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151827, 7151828, 7151829 via cif-deposit CGI script. |
7151827.cif |
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Users of the data should acknowledge the original authors of the
structural data.