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Information card for entry 2234501
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| Coordinates | 2234501.cif |
|---|---|
| Structure factors | 2234501.hkl |
| Original IUCr paper | HTML |
| Common name | 6,7,8,14,15,16-Hexaphenyldibenzo[<i>c</i>,<i>gh</i>]naphtho[3,2,1,8- <i>pqra</i>]tetraphene-5,13-dione dichloromethane monosolvate |
|---|---|
| Chemical name | 6,7,8,14,15,16-Hexaphenyldibenzo[<i>c</i>,<i>gh</i>]naphtho[3,2,1,8- <i>pqra</i>]tetraphene-5,13-dione dichloromethane monosolvate |
| Formula | C67 H40 Cl2 O2 |
| Calculated formula | C67 H40 Cl2 O2 |
| SMILES | O=C1c2c(c3ccccc3)c(c3ccccc3)c(c3c2c2c4c1c1ccccc1c1c4c(C(=O)c2c2c3cccc2)c(c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.ClCCl |
| Title of publication | 6,7,8,14,15,16-Hexaphenyldibenzo[<i>c</i>,<i>gh</i>]naphtho[3,2,1,8-<i>pqra</i>]tetraphene-5,13-dione dichloromethane monosolvate |
| Authors of publication | Li, Shuhong; Chen, Limin; Xu, Caihong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 5 |
| Pages of publication | o1284 |
| a | 12.587 ± 0.003 Å |
| b | 13.466 ± 0.003 Å |
| c | 15.872 ± 0.003 Å |
| α | 91.82 ± 0.03° |
| β | 107.75 ± 0.03° |
| γ | 112.2 ± 0.03° |
| Cell volume | 2339.1 ± 1.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1343 |
| Residual factor for significantly intense reflections | 0.0868 |
| Weighted residual factors for significantly intense reflections | 0.1351 |
| Weighted residual factors for all reflections included in the refinement | 0.1475 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.255 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181267 (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 2/23/45. |
2234501.cif 2234501.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. |
2234501.cif 2234501.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234501.cif 2234501.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. | 2234501.cif 2234501.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234501.cif 2234501.hkl |
| 59936 | 2012-06-14 | cif/ Adding structures of 2234501 via cif-deposit CGI script. |
2234501.cif |
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Users of the data should acknowledge the original authors of the
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