Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1555080
Preview
Coordinates | 1555080.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H26 Cl2 O4 |
---|---|
Calculated formula | C38 H26 Cl2 O4 |
SMILES | ClCCl.O(c1cc2C3(c4cc(OC)c(cc4c4c3cc(OC)c(c4)C#C)C#C)c3cc(OC)c(cc3c2cc1C#C)C#C)C |
Title of publication | Exclusive Hydrophobic Self-Assembly of Adaptive Solid-State Networks of Octasubstituted 9,9'-Spirobifluorenes. |
Authors of publication | Pop, Lidia; Dumitru, Florina; Hădade, Niculina D; Legrand, Yves-Marie; van der Lee, Arie; Barboiu, Mihail; Grosu, Ion |
Journal of publication | Organic letters |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 14 |
Pages of publication | 3494 - 3497 |
a | 13.2235 ± 0.0013 Å |
b | 24.195 ± 0.002 Å |
c | 10.2868 ± 0.0012 Å |
α | 90° |
β | 110.556 ± 0.011° |
γ | 90° |
Cell volume | 3081.6 ± 0.6 Å3 |
Cell temperature | 175 K |
Ambient diffraction temperature | 175 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0867 |
Residual factor for significantly intense reflections | 0.0653 |
Weighted residual factors for all reflections | 0.0675 |
Weighted residual factors for significantly intense reflections | 0.0613 |
Weighted residual factors for all reflections included in the refinement | 0.0613 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1873 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1555080.html
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.