Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4513750
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4513750.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H16 N2 O S |
---|---|
Calculated formula | C19 H16 N2 O S |
SMILES | S1C2=N[C@@H]([C@H](N2c2c1cccc2)COCC#C)c1ccccc1 |
Title of publication | A Recyclable, Immobilized Analogue of Benzotetramisole for Catalytic Enantioselective Domino Michael Addition/Cyclization Reactions in Batch and Flow |
Authors of publication | Izquierdo, Javier; Pericàs, Miquel A. |
Journal of publication | ACS Catalysis |
Year of publication | 2016 |
Journal volume | 6 |
Journal issue | 1 |
Pages of publication | 348 |
a | 9.8811 ± 0.0005 Å |
b | 10.2565 ± 0.0005 Å |
c | 15.4749 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1568.31 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 all reflections | 0.0424 |
Residual factor for significantly intense reflections | 0.0366 |
Weighted residual factors for significantly intense reflections | 0.0844 |
Weighted residual factors for all reflections included in the refinement | 0.0877 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
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/4513750.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.