Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7105513
Preview
Coordinates | 7105513.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 8 |
---|---|
Formula | C31 H28 Cl3 N2 O Rh |
Calculated formula | C31 H28 Cl3 N2 O Rh |
SMILES | [C]12(=O)[C]3(=[C]45[C]6(=[C]1(c1ccccc1)[Rh]2356([n]1ccccc1)([n]1ccccc1)Cl)CCC4)c1ccccc1.C(Cl)Cl |
Title of publication | Synthesis of [RhCl(CO)(cyclopentadienone)]2 from [RhCl(cod)]2 and a 1,6-diyne under CO: application to Rh(i)-catalyzed tandem [2+2+1] carbonylative cycloaddition of diynes and Claisen rearrangement |
Authors of publication | Lee, Sang Ick; Fukumoto, Yoshiya; Chatani, Naoto |
Journal of publication | Chemical Communications |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 19 |
Pages of publication | 3345 - 3347 |
a | 9.1035 ± 0.0005 Å |
b | 12.2818 ± 0.0007 Å |
c | 13.976 ± 0.0007 Å |
α | 112.171 ± 0.0017° |
β | 97.0413 ± 0.0016° |
γ | 100.942 ± 0.0018° |
Cell volume | 1387.98 ± 0.13 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0414 |
Residual factor for significantly intense reflections | 0.0343 |
Weighted residual factors for significantly intense reflections | 0.0841 |
Weighted residual factors for all reflections included in the refinement | 0.1012 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.175 |
Diffraction radiation wavelength | 0.71075 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/7105513.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.