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Information card for entry 4100904
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| Coordinates | 4100904.cif |
|---|---|
| External links | ChemSpider; PubChem |
| Formula | C60 H43 Cl N4 |
|---|---|
| Calculated formula | C60 H43 Cl N4 |
| SMILES | Clc1ccccc1.N1=C2c3ccccc3C(=Nc3ccc(cc3)Cc3ccc(Nc4c5c(c(Nc6ccc(cc6)Cc6ccc1cc6)c1ccccc41)cccc5)cc3)c1ccccc21 |
| Title of publication | Supplementary Information of X-ray Crystal Analysis of HAM4 |
| Authors of publication | Kimihisa Yamamoto |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2005 |
| a | 11.562 ± 0.012 Å |
| b | 13.764 ± 0.013 Å |
| c | 15.698 ± 0.014 Å |
| α | 81.07 ± 0.03° |
| β | 71.43 ± 0.03° |
| γ | 74.45 ± 0.03° |
| Cell volume | 2275 ± 4 Å3 |
| Cell temperature | 173.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4100904.cif |
| 277856 | 2022-09-15 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
4100904.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4100904.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4100904.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4100904.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
4100904.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4100904.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4100904.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
4100904.cif |
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Users of the data should acknowledge the original authors of the
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