Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 7101646
7101645 << 7101646 >> 7101647Preview
|
Coordinates |
7101646.cif |
Structure parameters
| Formula | - C36 H24 N2 - |
| Calculated formula | - C36 H24 N2 - |
| Title of publication | Tight intermolecular packing through supramolecular interactions in crystals of cyano substituted oligo(para-phenylene vinylene): a key factor for aggregation-induced emission. |
| Authors of publication | Li, Yupeng; Li, Feng; Zhang, Houyu; Xie, Zengqi; Xie, Weijie; Xu, Hai; Li, Bao; Shen, Fangzhong; Ye, Ling; Hanif, Muddasir; Ma, Dongge; Ma, Yuguang |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 3 |
| Pages of publication | 231 - 233 |
| a | 6.645 ± 0.0013 Å |
| b | 27.561 ± 0.006 Å |
| c | 7.6528 ± 0.0015 Å |
| α | 90° |
| β | 110.83 ± 0.03° |
| γ | 90° |
| Cell volume | 1309.9 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.1663 |
| Residual factor for observed reflections | 0.0591 |
| Weighted residual factors for the observed reflections | 0.1057 |
| Weighted residual factors for all reflections included in the refinement | 0.1399 |
| Goodness-of-fit parameter for observed reflections | 0.951 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |