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Information card for entry 1504227
Preview
Coordinates | 1504227.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H26 O2 Si |
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Calculated formula | C18 H26 O2 Si |
SMILES | [Si](OC[C@]12O[C@@H](C=C2C)c2ccccc12)(C)(C)C(C)(C)C |
Title of publication | Conformational effects in diastereoselective aryne Diels-Alder reactions: synthesis of benzo-fused [2.2.1] heterobicycles. |
Authors of publication | Webster, Robert; Lautens, Mark |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 20 |
Pages of publication | 4688 - 4691 |
a | 5.9876 ± 0.0005 Å |
b | 7.3491 ± 0.0003 Å |
c | 19.9858 ± 0.0018 Å |
α | 90° |
β | 97.689 ± 0.003° |
γ | 90° |
Cell volume | 871.54 ± 0.11 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0724 |
Residual factor for significantly intense reflections | 0.0555 |
Weighted residual factors for significantly intense reflections | 0.1285 |
Weighted residual factors for all reflections included in the refinement | 0.1405 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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. |
1504227.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1504227.cif |
39518 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1504227 via cif-deposit CGI script. |
1504227.cif |
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Users of the data should acknowledge the original authors of the
structural data.