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Information card for entry 2234390
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| Coordinates | 2234390.cif |
|---|---|
| Structure factors | 2234390.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 2,7-Bis(2-nitrophenyl)-9-octyl-9<i>H</i>-carbazole |
|---|---|
| Formula | C32 H31 N3 O4 |
| Calculated formula | C32 H31 N3 O4 |
| SMILES | c1c(ccc2c3ccc(cc3n(c12)CCCCCCCC)c1c(cccc1)N(=O)=O)c1c(cccc1)N(=O)=O |
| Title of publication | 2,7-Bis(2-nitrophenyl)-9-octyl-9<i>H</i>-carbazole |
| Authors of publication | Wrobel, Norma; Schollmeyer, Dieter; Detert, Heiner |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | o1249 |
| a | 8.722 ± 0.002 Å |
| b | 7.987 ± 0.002 Å |
| c | 39.508 ± 0.011 Å |
| α | 90° |
| β | 95.044 ± 0.006° |
| γ | 90° |
| Cell volume | 2741.6 ± 1.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.1786 |
| Residual factor for significantly intense reflections | 0.0615 |
| Weighted residual factors for significantly intense reflections | 0.103 |
| Weighted residual factors for all reflections included in the refinement | 0.1367 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.929 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2234390.cif 2234390.hkl |
| 181265 | 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 2/23/43. |
2234390.cif 2234390.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. |
2234390.cif 2234390.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234390.cif 2234390.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. | 2234390.cif 2234390.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234390.cif 2234390.hkl |
| 55663 | 2012-05-05 | cif/ Adding structures of 2234390 via cif-deposit CGI script. |
2234390.cif |
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Users of the data should acknowledge the original authors of the
structural data.