Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7251041
Preview
| Coordinates | 7251041.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | RN_BP_SC235 |
|---|---|
| Formula | C18 H12 Cl N O4 |
| Calculated formula | C18 H12 Cl N O4 |
| Title of publication | Metal-free access to 4-indolyl coumarin from coumarin 3-carboxylic acid and indole <i>via</i> a Michael addition-decarboxylation and dehydrogenation protocol: a photo-physical study and utility as an invisible ink. |
| Authors of publication | Chakraborty, Sourav; Bhattachrjyya, Arghyadeep; Paul, Bhaswati; Das, Barnali; Natarajan, Ramalingam; Majumdar, Swapan |
| Journal of publication | RSC advances |
| Year of publication | 2025 |
| Journal volume | 15 |
| Journal issue | 45 |
| Pages of publication | 37888 - 37898 |
| a | 14.6606 ± 0.0014 Å |
| b | 7.2869 ± 0.0007 Å |
| c | 16.3207 ± 0.0016 Å |
| α | 90° |
| β | 111.475 ± 0.005° |
| γ | 90° |
| Cell volume | 1622.5 ± 0.3 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0691 |
| Residual factor for significantly intense reflections | 0.0625 |
| Weighted residual factors for significantly intense reflections | 0.1571 |
| Weighted residual factors for all reflections included in the refinement | 0.1607 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302928 (current) | 2025-10-16 | cif/ Adding structures of 7251040, 7251041 via cif-deposit CGI script. |
7251041.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.