Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2018271
Preview
| Coordinates | 2018271.cif |
|---|---|
| Structure factors | 2018271.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(3,5-Difluorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboximide |
|---|---|
| Formula | C24 H15 F2 N O2 |
| Calculated formula | C24 H15 F2 N O2 |
| SMILES | O=C1N(c2cc(F)cc(F)c2)C(=O)[C@H]2[C@@H]1C1c3ccccc3C2c2ccccc12 |
| Title of publication | Three new fluorinated <i>N</i>-phenyl-substituted pentacyclic ethanoanthracenedicarboximides |
| Authors of publication | Schwarzer, Anke; Weber, Edwin |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | o457 - o460 |
| a | 18.229 ± 0.002 Å |
| b | 11.7659 ± 0.0013 Å |
| c | 8.1599 ± 0.001 Å |
| α | 90° |
| β | 94.852 ± 0.004° |
| γ | 90° |
| Cell volume | 1743.9 ± 0.3 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0539 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.1097 |
| Weighted residual factors for all reflections included in the refinement | 0.1124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.176 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180851 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/82. |
2018271.cif 2018271.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018271.cif 2018271.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2018271.cif 2018271.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018271.cif 2018271.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. | 2018271.cif 2018271.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2018271.cif 2018271.hkl |
| 30864 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2018271, 2018272, 2018273 via cif-deposit CGI script. |
2018271.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.