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Information card for entry 4505702
Preview
| Coordinates | 4505702.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2,2'bis(9-hydroxy-9-fluorenyl)biphenyl, 2 chloroform |
|---|---|
| Formula | C40 H28 Cl6 O2 |
| Calculated formula | C40 H28 Cl6 O2 |
| Title of publication | Crystal Structure, Thermal Decomposition Behavior, and Order−Disorder Transition of the Guest Component of Concomitant Pseudodimorphic Clathrates between 2,2‘-Bis(9-hydroxy-9-fluorenyl)biphenyl Host and Chloroform Guest |
| Authors of publication | Sumarna, Omay; Seidel, Jürgen; Weber, Edwin; Seichter, Wilhelm; Ibragimov, Bakhtiyar T.; Beketov, Kayrat M. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2003 |
| Journal volume | 3 |
| Journal issue | 4 |
| Pages of publication | 541 |
| a | 29.741 ± 0.006 Å |
| b | 13.62 ± 0.002 Å |
| c | 18.123 ± 0.003 Å |
| α | 90° |
| β | 107.05 ± 0.01° |
| γ | 90° |
| Cell volume | 7018 ± 2 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 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 | 0.1284 |
| Residual factor for significantly intense reflections | 0.0748 |
| Weighted residual factors for significantly intense reflections | 0.2005 |
| Weighted residual factors for all reflections included in the refinement | 0.2201 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179593 (current) | 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 4/50/57. |
4505702.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4505702.cif |
| 53703 | 2012-04-20 | cif/ Adding structures of 4505701, 4505702 via cif-deposit CGI script. |
4505702.cif |
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Users of the data should acknowledge the original authors of the
structural data.