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Information card for entry 2237282
Preview
| Coordinates | 2237282.cif |
|---|---|
| Structure factors | 2237282.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 5,11-Dimethyl-6,12-dimethoxyindolo[3,2-<i>b</i>]carbazole |
|---|---|
| Formula | C22 H20 N2 O2 |
| Calculated formula | C22 H20 N2 O2 |
| SMILES | COc1c2c(c(c3c1c1ccccc1n3C)OC)c1c(n2C)cccc1 |
| Title of publication | 5,11-Dimethyl-6,12-dimethoxyindolo[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 | 2 |
| Pages of publication | o255 |
| a | 11.229 ± 0.004 Å |
| b | 7.8561 ± 0.0007 Å |
| c | 9.668 ± 0.003 Å |
| α | 90° |
| β | 94.79 ± 0.017° |
| γ | 90° |
| Cell volume | 849.9 ± 0.4 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 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 | 0.0563 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.1443 |
| Weighted residual factors for all reflections included in the refinement | 0.1524 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| 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. |
2237282.cif 2237282.hkl |
| 181294 | 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 2/23/72. |
2237282.cif 2237282.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. |
2237282.cif 2237282.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. | 2237282.cif 2237282.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237282.cif 2237282.hkl |
| 75282 | 2013-03-09 | cif/ Adding structures of 2237282 via cif-deposit CGI script. |
2237282.cif |
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Users of the data should acknowledge the original authors of the
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