Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8106718
Preview
Coordinates | 8106718.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H33 N O10 |
---|---|
Calculated formula | C36 H33 N O10 |
Title of publication | Crystal structure of 5,6-Dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]chinolizinium 3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate - methanol - water (1/1/1), C36H33NO10 |
Authors of publication | Lou, Benyong; Huang, Yali; Zheng, Guocai; Lin, Qi |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2017 |
Journal volume | 232 |
Journal issue | 6 |
Pages of publication | 913 - 915 |
a | 14.113 ± 0.007 Å |
b | 17.883 ± 0.009 Å |
c | 12.724 ± 0.007 Å |
α | 90° |
β | 108.218 ± 0.009° |
γ | 90° |
Cell volume | 3050 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.1141 |
Residual factor for significantly intense reflections | 0.0788 |
Weighted residual factors for significantly intense reflections | 0.1767 |
Weighted residual factors for all reflections included in the refinement | 0.1967 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
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/8106718.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.