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Information card for entry 4116264
Preview
| Coordinates | 4116264.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,2-diethyl-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 and 1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene |
|---|---|
| Formula | C29 H22 F6 S2 |
| Calculated formula | C29 H22 F6 S2 |
| Title of publication | Photochromism of 1,2-Bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene in a Single-Crystalline Phase. Conrotatory Thermal Cycloreversion of the Closed-Ring Isomer |
| Authors of publication | Seiya Kobatake; Katsunori Shibata; Kingo Uchida; Masahiro Irie |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2000 |
| Journal volume | 122 |
| Pages of publication | 12135 - 12141 |
| a | 29.804 ± 0.004 Å |
| b | 12.3908 ± 0.0018 Å |
| c | 13.489 ± 0.002 Å |
| α | 90° |
| β | 101.289 ± 0.003° |
| γ | 90° |
| Cell volume | 4885 ± 1.2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0767 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1106 |
| Weighted residual factors for all reflections included in the refinement | 0.1277 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| 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. |
4116264.cif |
| 178933 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/62. |
4116264.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4116264.cif |
| 70845 | 2013-01-05 | cif/ Adding structures of 4116264 via cif-deposit CGI script. |
4116264.cif |
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