Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 7108643
7108642 << 7108643 >> 7108644Preview
|
Coordinates |
7108643.cif |
Structure parameters
| Chemical name | 2,3-bis(5-methyl-2-phenyl-4-thiazolyl)-1-phenylinden-1-ol |
| Formula | - C36 H27 Cl3 N2 O S2 - |
| Calculated formula | - C36 H27 Cl3 N2 O S2 - |
| Title of publication | Bisarylindenols: fixation of conformation leads to exceptional properties of photochromism based on 6pi-electrocyclization |
| Authors of publication | Hatsune Ogawa; Kazuya Takagi; Takashi Ubukata; Akiko Okamoto; Noriyuki Yonezawa; Stephanie Delbaere; Yasushi Yokoyama |
| Journal of publication | Chem.Commun. |
| Year of publication | 2012 |
| Journal volume | 48 |
| Pages of publication | 11838 |
| a | 14.4711 ± 0.0002 Å |
| b | 28.85 ± 0.0005 Å |
| c | 7.6973 ± 0.0001 Å |
| α | 90° |
| β | 93.099 ± 0.001° |
| γ | 90° |
| Cell volume | 3208.86 ± 0.08 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.0517 |
| Residual factor for observed reflections | 0.0485 |
| Weighted residual factors for the observed reflections | 0.1425 |
| Weighted residual factors for all reflections included in the refinement | 0.146 |
| Goodness-of-fit parameter for observed reflections | 1.084 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |