Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4028334
Preview
Coordinates | 4028334.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H27 O3 P |
---|---|
Calculated formula | C31 H27 O3 P |
SMILES | P(=O)(/C(=C(\C(=O)c1ccc(C)cc1)c1ccccc1)C1(O)CC1)(c1ccccc1)c1ccccc1 |
Title of publication | Hydroxyphosphinylation Reaction of 3-Cyclopropylideneprop-2-en-1-ones via C-P σ-Bond Cleavage |
Authors of publication | Maozhong Miao; Jian Cao; Xian Huang; Luling Wu |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 5999 - 6007 |
a | 9.6961 ± 0.0005 Å |
b | 11.2455 ± 0.0006 Å |
c | 12.1837 ± 0.0006 Å |
α | 104.865 ± 0.004° |
β | 92.658 ± 0.004° |
γ | 100.365 ± 0.004° |
Cell volume | 1257.07 ± 0.12 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0771 |
Residual factor for significantly intense reflections | 0.0486 |
Weighted residual factors for significantly intense reflections | 0.1081 |
Weighted residual factors for all reflections included in the refinement | 0.1265 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4028334.html
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.