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Information card for entry 4500342
Preview
| Coordinates | 4500342.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,2-dimethoxy-8,8,9,9,10,10-hexafluoro-4,14-diphenyl-3,15-dithiatetracyclo-[10.3.0.0^2,6^.0^7,11^] pentadeca-4,6(7),11(12),13-tetraene (1b) |
|---|---|
| Formula | C27 H18 F6 O2 S2 |
| Calculated formula | C27 H18 F6 O2 S2 |
| Title of publication | High-Convertible Photochromism of a Diarylethene Single Crystal Accompanying the Crystal Shape Deformation |
| Authors of publication | Kobatake, Seiya; Hasegawa, Hiroki; Miyamura, Kentaro |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2011 |
| Journal volume | 11 |
| Journal issue | 4 |
| Pages of publication | 1223 |
| a | 16.2352 ± 0.0016 Å |
| b | 10.4609 ± 0.001 Å |
| c | 15.2238 ± 0.0015 Å |
| α | 90° |
| β | 112.103 ± 0.002° |
| γ | 90° |
| Cell volume | 2395.5 ± 0.4 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0427 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0827 |
| Weighted residual factors for all reflections included in the refinement | 0.0886 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211399 (current) | 2018-10-12 | cif/ Correcting the _chemical_name_systematic data item value in entries 2200162, 4103214, 4116106, 4116264, 4116266, 4116322, 4116537, 4500342, 7110430, 7150522 by replacing the '<', '>' symbols with the '^' symbol. This is the preferred way of denoting superscript symbols in CIF files. |
4500342.cif |
| 179534 | 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 4/50/03. |
4500342.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4500342.cif |
| 34458 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4500342 via cif-deposit CGI script. |
4500342.cif |
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