Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7240737
Preview
| Coordinates | 7240737.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 3-(2-hydroxy-5-methylbenzoyl)-1-naphthaldehyde |
|---|---|
| Formula | C19 H14 O3 |
| Calculated formula | C19 H14 O3 |
| SMILES | c1(c(cc(cc1)C)C(=O)c1cc2cc(ccc2cc1)C=O)O |
| Title of publication | Eco-friendly organocatalyst- and reagent-controlled selective construction of diverse and multifunctionalized 2-hydroxybenzophenone frameworks for potent UV-A/B filters by cascade benzannulation |
| Authors of publication | Akhtar, Muhammad Saeed; Thombal, Raju S.; Inductivo Tamargo, Ramuel John; Yang, Won-Guen; Kim, Sung Hong; Lee, Yong Rok |
| Journal of publication | Green Chemistry |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 14 |
| Pages of publication | 4523 - 4531 |
| a | 7.3618 ± 0.0003 Å |
| b | 7.4104 ± 0.0002 Å |
| c | 25.4612 ± 0.0009 Å |
| α | 90° |
| β | 95.2808 ± 0.0014° |
| γ | 90° |
| Cell volume | 1383.11 ± 0.08 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0504 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.1088 |
| Weighted residual factors for all reflections included in the refinement | 0.1157 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240737.cif |
| 257611 | 2020-10-06 | cif/ Updating files of 7240736, 7240737 Original log message: Adding full bibliography for 7240736--7240737.cif. |
7240737.cif |
| 255026 | 2020-08-06 | cif/ Updating files of 7240736, 7240737 Original log message: Adding full bibliography for 7240736--7240737.cif. |
7240737.cif |
| 253193 | 2020-06-17 | cif/ Adding structures of 7240736, 7240737 via cif-deposit CGI script. |
7240737.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.