Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7222922
Preview
Coordinates | 7222922.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H11 I O2 |
---|---|
Calculated formula | C17 H11 I O2 |
SMILES | c1(c(c2ccccc2cc1C(=O)c1ccccc1)I)O |
Title of publication | CuO/I2-mediated intramolecular annulation for the synthesis of 2-aroyl-3-hydroxy-4-iodonaphthalenes |
Authors of publication | Cai, Qun; Yang, Yan; Li, Deng-Kui; Jia, Feng-Cheng; Xu, Cheng; Wu, An-Xin |
Journal of publication | RSC Adv. |
Year of publication | 2015 |
a | 11.327 ± 0.004 Å |
b | 11.78 ± 0.005 Å |
c | 10.747 ± 0.004 Å |
α | 90° |
β | 94.54 ± 0.004° |
γ | 90° |
Cell volume | 1429.5 ± 1 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0668 |
Residual factor for significantly intense reflections | 0.0385 |
Weighted residual factors for significantly intense reflections | 0.0771 |
Weighted residual factors for all reflections included in the refinement | 0.0879 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7222922.cif |
167952 | 2015-10-14 | cif/ Adding structures of 7222922, 7222923, 7222924 via cif-deposit CGI script. |
7222922.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.