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Information card for entry 7150871
Preview
Coordinates | 7150871.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C16 H15 N O |
---|---|
Calculated formula | C16 H15 N O |
SMILES | O1[C@H](N[C@H]2[C@@H]1Cc1ccccc21)c1ccccc1 |
Title of publication | Highly enantioselective alkynylation of aldehydes catalyzed by a new oxazolidine‒titanium complex |
Authors of publication | Xu, Zhou; Mao, Jincheng; Zhang, Yawen |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2008 |
Journal volume | 6 |
Journal issue | 7 |
Pages of publication | 1288 - 1292 |
a | 19.246 ± 0.006 Å |
b | 5.8447 ± 0.0016 Å |
c | 14.509 ± 0.005 Å |
α | 90° |
β | 129.844 ± 0.004° |
γ | 90° |
Cell volume | 1253.1 ± 0.7 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 4 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.033 |
Residual factor for significantly intense reflections | 0.0315 |
Weighted residual factors for significantly intense reflections | 0.0792 |
Weighted residual factors for all reflections included in the refinement | 0.0802 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7150871.cif |
180294 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/08. |
7150871.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150871.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150871.cif |
1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7150871.cif |
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Users of the data should acknowledge the original authors of the
structural data.