Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4109060
Preview
Coordinates | 4109060.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H33 N O4 Si |
---|---|
Calculated formula | C19 H33 N O4 Si |
SMILES | [Si](CC[C@](C#N)(C(=O)OC(C)(C)C)/C=C/C(=O)OC(C)(C)C)(C)(C)C |
Title of publication | New, Chiral Phase Transfer Catalysts for Effecting Asymmetric Conjugate Additions of α-Alkyl-α-cyanoacetates to Acetylenic Esters |
Authors of publication | Xisheng Wang; Masanori Kitamura; Keiji Maruoka |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2007 |
Journal volume | 129 |
Pages of publication | 1038 - 1039 |
a | 6.32501 ± 0.00011 Å |
b | 15.6014 ± 0.0003 Å |
c | 22.1928 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2189.96 ± 0.07 Å3 |
Cell temperature | 133.1 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for significantly intense reflections | 0.0494 |
Weighted residual factors for all reflections included in the refinement | 0.1438 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4109060.cif |
120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109060.cif |
57811 | 2012-05-21 | cif/ Adding structures of 4109060 via cif-deposit CGI script. |
4109060.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.