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Information card for entry 4507156
Preview
| Coordinates | 4507156.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C23 H30 O2 |
|---|---|
| Calculated formula | C23 H30 O2 |
| SMILES | OC(=O)c1ccc(cc1)C#CC#CCCCCCCCCCCCC |
| Title of publication | Thermochromism and Structural Change in Polydiacetylenes Including Carboxy and 4-Carboxyphenyl Groups as the Intermolecular Hydrogen Bond Linkages in the Side Chain |
| Authors of publication | Tanioku, Chiaki; Matsukawa, Kimihiro; Matsumoto, Akikazu |
| Journal of publication | ACS Applied Materials & Interfaces |
| Year of publication | 2013 |
| Journal volume | 5 |
| Journal issue | 3 |
| Pages of publication | 940 |
| a | 4.582 ± 0.004 Å |
| b | 5.431 ± 0.005 Å |
| c | 39.03 ± 0.04 Å |
| α | 88.589 ± 0.015° |
| β | 87.513 ± 0.015° |
| γ | 82.764 ± 0.019° |
| Cell volume | 962.4 ± 1.6 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0596 |
| Weighted residual factors for all reflections included in the refinement | 0.1711 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4507156.cif |
| 179607 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/71. |
4507156.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4507156.cif |
| 73829 | 2013-02-21 | cif/ Adding structures of 4507156 via cif-deposit CGI script. |
4507156.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.