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Information card for entry 2018718
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| Coordinates | 2018718.cif |
|---|---|
| Structure factors | 2018718.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | <i>m</i>-quinquephenyl |
|---|---|
| Chemical name | 1,1':3',1'':3'',1''':3''',1''''-quinquephenyl |
| Formula | C30 H22 |
| Calculated formula | C30 H22 |
| SMILES | c1(ccccc1)c1cc(ccc1)c1cc(ccc1)c1cc(ccc1)c1ccccc1 |
| Title of publication | A low-temperature polymorph of <i>m</i>-quinquephenyl |
| Authors of publication | Gomes, Ligia R.; Howie, R. Alan; Low, John Nicolson; Rodrigues, Ana S. M. C.; Santos, Luís M. N. B. F. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | o492 - o497 |
| a | 13.574 ± 0.0007 Å |
| b | 7.1809 ± 0.0004 Å |
| c | 42.833 ± 0.002 Å |
| α | 90° |
| β | 99.274 ± 0.004° |
| γ | 90° |
| Cell volume | 4120.5 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 2 |
| 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 | 0.0746 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.129 |
| Weighted residual factors for all reflections included in the refinement | 0.1546 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201957 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/01 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2018718.cif 2018718.hkl |
| 180856 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/87. |
2018718.cif 2018718.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018718.cif 2018718.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018718.cif 2018718.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. | 2018718.cif 2018718.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2018718.cif 2018718.hkl |
| 71229 | 2013-01-18 | cif/ Adding structures of 2018718 via cif-deposit CGI script. |
2018718.cif |
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Users of the data should acknowledge the original authors of the
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