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Information card for entry 2233145
Preview
| Coordinates | 2233145.cif |
|---|---|
| Structure factors | 2233145.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>N</i>,<i>N</i>'-Bis(2,6-diethylphenyl)acenaphthylene-1,2-diimine |
|---|---|
| Formula | C32 H32 N2 |
| Calculated formula | C32 H32 N2 |
| SMILES | CCc1cccc(c1/N=C1/C(=N/c2c(CC)cccc2CC)c2c3c1cccc3ccc2)CC |
| Title of publication | <i>N</i>,<i>N</i>'-Bis(2,6-diethylphenyl)acenaphthylene-1,2-diimine |
| Authors of publication | Wang, Li; Luo, Xuyang; Gao, Bo; Wu, Qiaolin; Mu, Ying |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | o128 |
| a | 13.5134 ± 0.0012 Å |
| b | 8.6952 ± 0.0008 Å |
| c | 22.3532 ± 0.0019 Å |
| α | 90° |
| β | 99.413 ± 0.001° |
| γ | 90° |
| Cell volume | 2591.2 ± 0.4 Å3 |
| Cell temperature | 185 ± 2 K |
| Ambient diffraction temperature | 185 ± 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 | 0.0762 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.1358 |
| Weighted residual factors for all reflections included in the refinement | 0.1506 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2233145.cif 2233145.hkl |
| 181253 | 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 2/23/31. |
2233145.cif 2233145.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. |
2233145.cif 2233145.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233145.cif 2233145.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. | 2233145.cif 2233145.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233145.cif 2233145.hkl |
| 32204 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233145 via cif-deposit CGI script. |
2233145.cif |
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Users of the data should acknowledge the original authors of the
structural data.