Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2234933
Preview
| Coordinates | 2234933.cif |
|---|---|
| Structure factors | 2234933.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | 3-(1,2-Di-p-tolyl-vinyl)-2-methyl-1H-indole |
|---|---|
| Chemical name | 3-(1,2-Di-<i>p</i>-tolylvinyl)-2-methyl-1<i>H</i>-indole |
| Formula | C25 H23 N |
| Calculated formula | C25 H23 N |
| SMILES | c12ccccc1c(c(C)[nH]2)C(=C\c1ccc(cc1)C)/c1ccc(cc1)C |
| Title of publication | 3-(1,2-Di-<i>p</i>-tolylvinyl)-2-methyl-1<i>H</i>-indole |
| Authors of publication | Senthamizhselvi, R.; Bhaskar, G.; Seshadri, P. R.; Perumal, P. T.; Illangovan, K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 6 |
| Pages of publication | o1815 |
| a | 25.684 ± 0.006 Å |
| b | 9.911 ± 0.002 Å |
| c | 16.739 ± 0.004 Å |
| α | 90° |
| β | 112.646 ± 0.005° |
| γ | 90° |
| Cell volume | 3932.5 ± 1.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0878 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.1334 |
| Weighted residual factors for all reflections included in the refinement | 0.159 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2234933.cif 2234933.hkl |
| 181271 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/49. |
2234933.cif 2234933.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2234933.cif 2234933.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234933.cif 2234933.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2234933.cif 2234933.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234933.cif 2234933.hkl |
| 61550 | 2012-07-05 | cif/ Adding structures of 2234933 via cif-deposit CGI script. |
2234933.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.