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Information card for entry 1503507
Preview
Coordinates | 1503507.cif |
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Original paper (by DOI) | HTML |
Common name | dinaphthylsilanediol with diethyl ether solvate |
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Formula | C24 H26 O3 Si |
Calculated formula | C24 H26 O3 Si |
SMILES | [Si](O)(O)(c1cccc2ccccc12)c1cccc2ccccc12.CCOCC |
Title of publication | Cooperative hydrogen-bonding effects in silanediol catalysis. |
Authors of publication | Tran, Ngon T.; Wilson, Sean O.; Franz, Annaliese K. |
Journal of publication | Organic letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 1 |
Pages of publication | 186 - 189 |
a | 8.1046 ± 0.0008 Å |
b | 16.1014 ± 0.0015 Å |
c | 16.2436 ± 0.0016 Å |
α | 80.001 ± 0.001° |
β | 82.991 ± 0.001° |
γ | 83.36 ± 0.001° |
Cell volume | 2062.2 ± 0.3 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0497 |
Residual factor for significantly intense reflections | 0.0378 |
Weighted residual factors for significantly intense reflections | 0.0985 |
Weighted residual factors for all reflections included in the refinement | 0.1078 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
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. |
1503507.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503507.cif |
37884 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 1503507 via cif-deposit CGI script. |
1503507.cif |
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Users of the data should acknowledge the original authors of the
structural data.