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Information card for entry 2235435
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| Coordinates | 2235435.cif |
|---|---|
| Structure factors | 2235435.hkl |
| Original IUCr paper | HTML |
| Chemical name | 6,7,15,16-Tetrahydro-5,14-dibutylbenzo[1,2-<i>c</i>:4,5-<i>c</i>']diacridine |
|---|---|
| Formula | C36 H36 N2 |
| Calculated formula | C36 H36 N2 |
| SMILES | CCCCc1c2CCc3c(c2nc2c1cccc2)cc1c(c3)c2nc3ccccc3c(c2CC1)CCCC |
| Title of publication | 6,7,15,16-Tetrahydro-5,14-dibutylbenzo[1,2-<i>c</i>:4,5-<i>c</i>']diacridine |
| Authors of publication | Lu, Xin-hua; Hu, Jin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 7 |
| Pages of publication | o2093 |
| a | 9.601 ± 0.0019 Å |
| b | 10.386 ± 0.002 Å |
| c | 14.625 ± 0.003 Å |
| α | 77.44 ± 0.03° |
| β | 78.43 ± 0.03° |
| γ | 73.92 ± 0.03° |
| Cell volume | 1352.4 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1172 |
| Residual factor for significantly intense reflections | 0.0583 |
| Weighted residual factors for significantly intense reflections | 0.1211 |
| Weighted residual factors for all reflections included in the refinement | 0.1472 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181276 (current) | 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 2/23/54. |
2235435.cif 2235435.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. |
2235435.cif 2235435.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235435.cif 2235435.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. | 2235435.cif 2235435.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235435.cif 2235435.hkl |
| 63904 | 2012-08-10 | cif/ Adding structures of 2235435 via cif-deposit CGI script. |
2235435.cif |
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Users of the data should acknowledge the original authors of the
structural data.