Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1552998
Preview
Coordinates | 1552998.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H23 O3 P |
---|---|
Calculated formula | C34 H23 O3 P |
SMILES | P1(Oc2c(c3ccccc3cc2)c2c3ccccc3ccc2O1)Oc1c(/C=C/c2ccccc2)cccc1 |
Title of publication | Design of a new series of chiral phosphite‒olefin ligands and their application in asymmetric catalysis |
Authors of publication | Yu, Yue-Na; Xu, Ming-Hua |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2014 |
Journal volume | 1 |
Journal issue | 7 |
Pages of publication | 738 |
a | 8.4091 ± 0.0007 Å |
b | 12.2759 ± 0.0012 Å |
c | 24.544 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2533.7 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.1527 |
Residual factor for significantly intense reflections | 0.0864 |
Weighted residual factors for significantly intense reflections | 0.2094 |
Weighted residual factors for all reflections included in the refinement | 0.2292 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
232947 (current) | 2019-11-23 | cif/ Adding structures of 1552998 via cif-deposit CGI script. |
1552998.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.