Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8106628
Preview
Coordinates | 8106628.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H20 N2 O7 |
---|---|
Calculated formula | C17 H20 N2 O7 |
Title of publication | Crystal structure of (E)-2,3-dihydroxybenzaldehydeO-(2-((((E)-1-(2,5-dihydroxyphenyl)ethylidene)amino)oxy)ethyl) oxime monohydrate, C17H20N2O7 |
Authors of publication | Zheng, Shan-Shan; Zhao, Qing; Zhang, Yang; Dong, Wen-Kui |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2017 |
Journal volume | 232 |
Journal issue | 4 |
Pages of publication | 643 - 645 |
a | 4.6318 ± 0.0011 Å |
b | 13.472 ± 0.003 Å |
c | 27.12 ± 0.007 Å |
α | 90° |
β | 91.081 ± 0.005° |
γ | 90° |
Cell volume | 1692 ± 0.7 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1009 |
Residual factor for significantly intense reflections | 0.0637 |
Weighted residual factors for significantly intense reflections | 0.1152 |
Weighted residual factors for all reflections included in the refinement | 0.1297 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
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/8106628.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.