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Information card for entry 4103817
Preview
Coordinates | 4103817.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H22 O3 |
---|---|
Calculated formula | C19 H22 O3 |
SMILES | O[C@@]([C@H]([C@@H](c1ccc(OC)cc1)O)C=C)(c1ccccc1)C |
Title of publication | Borabicyclo[3.3.2]decanes and the Stereoselective Asymmetric Synthesis of 1,3-Diol Stereotriads from 1,3-Diborylpropenes |
Authors of publication | Ana Z. González; José G. Román; Eyleen Alicea; Eda Canales; John A. Soderquist |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 1269 - 1273 |
a | 10.304 ± 0.012 Å |
b | 8.153 ± 0.006 Å |
c | 10.332 ± 0.012 Å |
α | 90° |
β | 101.67 ± 0.04° |
γ | 90° |
Cell volume | 850 ± 1.5 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0458 |
Residual factor for significantly intense reflections | 0.0418 |
Weighted residual factors for significantly intense reflections | 0.1145 |
Weighted residual factors for all reflections included in the refinement | 0.1178 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178784 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/38. |
4103817.cif |
120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4103817.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4103817.cif |
28292 | 2011-10-24 | ../uploads/cif-deposit/cod/cif Adding structures of 4103817 via cif-deposit CGI script. |
4103817.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.