Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1517436
Preview
| Coordinates | 1517436.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H20 N2 O2 |
|---|---|
| Calculated formula | C19 H20 N2 O2 |
| SMILES | O/N=C(c1ccccc1)\C1CC(C)(C)C(=N1=O)c1ccccc1 |
| Title of publication | Iminoxyl Radical-Promoted Dichotomous Cyclizations: Efficient Oxyoximation and Aminooximation of Alkenes. |
| Authors of publication | Peng, Xie-Xue; Deng, Yun-Jing; Yang, Xiu-Long; Zhang, Lin; Yu, Wei; Han, Bing |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 17 |
| Pages of publication | 4650 |
| a | 8.4089 ± 0.0008 Å |
| b | 10.0499 ± 0.0015 Å |
| c | 12.6368 ± 0.0017 Å |
| α | 102.268 ± 0.012° |
| β | 103.727 ± 0.01° |
| γ | 110.298 ± 0.011° |
| Cell volume | 920.7 ± 0.2 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 | 0.0862 |
| Residual factor for significantly intense reflections | 0.0619 |
| Weighted residual factors for significantly intense reflections | 0.1671 |
| Weighted residual factors for all reflections included in the refinement | 0.1883 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1517436.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1517436.cif |
| 123152 | 2014-09-06 | cif/ Updating files of 1517435, 1517436, 1517437, 1517438, 1517439 Original log message: Adding full bibliography for 1517435--1517439.cif. |
1517436.cif |
| 122509 | 2014-08-26 | cif/ Adding structures of 1517436 via cif-deposit CGI script. |
1517436.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.