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Information card for entry 2010416
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| Coordinates | 2010416.cif |
|---|
| Formula | C68 H11 Cl3 O4 |
|---|---|
| Calculated formula | C68 H11 Cl3 O4 |
| SMILES | C123c4c5c6c1c1c7c8c6c6c9c5c5c%10c4c4c%11C2(c2c%12c%11c%11c%13c%14c%15c%16c%17c%18c%19c%16c%16c%20c%21c%19c%19c%22c%18c%18c(c%13%17)c%11c4c%10c%18c%22c5c9c%19c%21c6c8c%20c4c7c(c12)c(c%15c%164)c%12%14)C3(C(=O)OCC)C(=O)OCC.ClC(Cl)Cl |
| Title of publication | Diethyl Methano-C~60~-fullerene-61,61-dicarboxylate Chloroform Solvate at 193 K, C~67~H~10~O~4~.CHCl~3~ |
| Authors of publication | Paulus, E. F.; Bingel, C. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Pages of publication | 143 - 146 |
| a | 13.665 ± 0.001 Å |
| b | 14.68 ± 0.002 Å |
| c | 19.539 ± 0.002 Å |
| α | 94.965 ± 0.006° |
| β | 104.131 ± 0.007° |
| γ | 90.482 ± 0.008° |
| Cell volume | 3784.9 ± 0.7 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.1101 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 130149 (current) | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
2010416.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2010416.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. |
2010416.cif |
| 481 | 2008-11-20 | Changing volume number in numerous Acta Cryst. C published CIFs from 'C[0-9]?[0-9]' into '[0-9]?[0-9]'. This makes the COD CIF collection more uniform, and also helps the deposition scripts to spot potential duplicates more accurately. The command for this transformation was: for i in 2/*.cif; \ do ( \ if grep -q '_journal_volume *C' $i && \ grep -q '_journal_name_full .*Acta *Cryst' $i; \ then \ echo === $i ===; \ perl -i -pe 's/_journal_volume *C/_journal_volume /' $i; \ perl -i -pe \ "s/_journal_name_full .*/_journal_name_full 'Acta Crystallographica Section C'/" $i ; \ fi \ ) done |
2010416.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/' |
2010416.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
2010416.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. |
2010416.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) |
2010416.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
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