Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7117883
Preview
Coordinates | 7117883.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | JSRhGual |
---|---|
Formula | C31 H41 Cl N3 Rh |
Calculated formula | C31 H41 Cl N3 Rh |
Title of publication | Rh(iii)-catalyzed [5+1] oxidative cycloaddition of arylguanidines with alkynes: a novel access to C4-disubstituted 1,4-dihydroquinazolin-2-amines. |
Authors of publication | Cajaraville, Ana; Suárez, Jaime; López, Susana; Varela, Jesús A; Saá, Carlos |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2015 |
Journal volume | 51 |
Journal issue | 82 |
Pages of publication | 15157 - 15160 |
a | 15.6033 ± 0.0008 Å |
b | 11.0447 ± 0.0005 Å |
c | 16.5835 ± 0.0009 Å |
α | 90° |
β | 99.361 ± 0.003° |
γ | 90° |
Cell volume | 2819.8 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1292 |
Residual factor for significantly intense reflections | 0.0726 |
Weighted residual factors for significantly intense reflections | 0.1123 |
Weighted residual factors for all reflections included in the refinement | 0.1294 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7117883.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.