Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1555461
Preview
Coordinates | 1555461.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C104 H80 O |
---|---|
Calculated formula | C104 H80 O |
Title of publication | High Fluorescence Efficiencies and Large Stokes Shifts of Folded Fluorophores Consisting of a Pair of Alkenyl-Tethered, π-Stacked Oligo-p-phenylenes. |
Authors of publication | He, Bairong; Nie, Han; Chen, Long; Lou, Xiaoding; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong |
Journal of publication | Organic letters |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 24 |
Pages of publication | 6174 - 6177 |
a | 10.2023 ± 0.0013 Å |
b | 12.2529 ± 0.0014 Å |
c | 16.1191 ± 0.0019 Å |
α | 98.99 ± 0.03° |
β | 102.37 ± 0.03° |
γ | 105.55 ± 0.03° |
Cell volume | 1846.7 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1839 |
Residual factor for significantly intense reflections | 0.0722 |
Weighted residual factors for significantly intense reflections | 0.1547 |
Weighted residual factors for all reflections included in the refinement | 0.2176 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
238721 (current) | 2019-11-24 | cif/ Adding structures of 1555461 via cif-deposit CGI script. |
1555461.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.