Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4103758
Preview
Coordinates | 4103758.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (butylNH3)2og |
---|---|
Formula | C14 H30 N4 O6 |
Calculated formula | C14 H30 N4 O6 |
Title of publication | Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene |
Authors of publication | Zhong Li; Frank W. Fowler; Joseph W. Lauher |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 634 - 643 |
a | 9.365 ± 0.0011 Å |
b | 12.6982 ± 0.0014 Å |
c | 12.7582 ± 0.0014 Å |
α | 75.762 ± 0.002° |
β | 75.679 ± 0.002° |
γ | 82.023 ± 0.002° |
Cell volume | 1420 ± 0.3 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1538 |
Residual factor for significantly intense reflections | 0.0785 |
Weighted residual factors for significantly intense reflections | 0.2144 |
Weighted residual factors for all reflections included in the refinement | 0.2612 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.885 |
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/4103758.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.