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Information card for entry 2237199
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| Coordinates | 2237199.cif |
|---|---|
| Structure factors | 2237199.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 6,12-Bis(hexyloxy)-5<i>H</i>,11<i>H</i>-indolo[3,2-<i>b</i>]carbazole |
|---|---|
| Formula | C30 H36 N2 O2 |
| Calculated formula | C30 H36 N2 O2 |
| SMILES | c1(c2c(c(c3c1c1ccccc1[nH]3)OCCCCCC)c1ccccc1[nH]2)OCCCCCC |
| Title of publication | 6,12-Bis(hexyloxy)-5<i>H</i>,11<i>H</i>-indolo[3,2-<i>b</i>]carbazole |
| Authors of publication | Wrobel, Norma; Witulski, Bernhard; Schollmeyer, Dieter; Detert, Heiner |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | o116 - o117 |
| a | 13.7136 ± 0.0004 Å |
| b | 5.5026 ± 0.0004 Å |
| c | 16.5563 ± 0.0005 Å |
| α | 90° |
| β | 92.665 ± 0.003° |
| γ | 90° |
| Cell volume | 1247.99 ± 0.1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0652 |
| Residual factor for significantly intense reflections | 0.0569 |
| Weighted residual factors for significantly intense reflections | 0.1719 |
| Weighted residual factors for all reflections included in the refinement | 0.1806 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
2237199.cif 2237199.hkl |
| 181293 | 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 2/23/71. |
2237199.cif 2237199.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. |
2237199.cif 2237199.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237199.cif 2237199.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. | 2237199.cif 2237199.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237199.cif 2237199.hkl |
| 73422 | 2013-02-20 | cif/ Adding structures of 2237199 via cif-deposit CGI script. |
2237199.cif |
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Users of the data should acknowledge the original authors of the
structural data.