Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1514206
Preview
| Coordinates | 1514206.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H23 N O2 S |
|---|---|
| Calculated formula | C30 H23 N O2 S |
| SMILES | Cc1ccc(cc1)c1c2ccccc2cc2c1c1ccccc1n2S(=O)(=O)c1ccc(cc1)C |
| Title of publication | Fe-Catalyzed Novel Domino Isomerization/Cyclodehydration of Substituted 2-[(Indoline-3-ylidene)(methyl)]benzaldehyde Derivatives: An Efficient Approach toward Benzo[b]carbazole Derivatives. |
| Authors of publication | Paul, Kartick; Bera, Krishnendu; Jalal, Swapnadeep; Sarkar, Soumen; Jana, Umasish |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 8 |
| Pages of publication | 2166 - 2169 |
| a | 18.5052 ± 0.0017 Å |
| b | 10.5619 ± 0.001 Å |
| c | 24.279 ± 0.002 Å |
| α | 90° |
| β | 104.446 ± 0.003° |
| γ | 90° |
| Cell volume | 4595.3 ± 0.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1605 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.1437 |
| Weighted residual factors for all reflections included in the refinement | 0.2084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| 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. |
1514206.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. |
1514206.cif |
| 112811 | 2014-05-04 | cif/ Updating files of 1514206 Original log message: Adding full bibliography for 1514206.cif. |
1514206.cif |
| 110616 | 2014-04-19 | cif/ Updating files of 1514206 Original log message: Adding full bibliography for ./tmp-cod-update-bibliographies-8800/cifs/1514206.cif. |
1514206.cif |
| 108710 | 2014-04-02 | cif/ Adding structures of 1514206 via cif-deposit CGI script. |
1514206.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.