Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8106343
Preview
Coordinates | 8106343.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H24 Cl N O3 |
---|---|
Calculated formula | C21 H24 Cl N O3 |
Title of publication | Crystal structure of ethyl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C21H24ClNO3 |
Authors of publication | Gou, Wei; Zhou, Yan; Zhong, Wei; Wang, Yang; Yang, Bai-Yuan; Zhao, An-Rong |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2018 |
Journal volume | 233 |
Journal issue | 5 |
Pages of publication | 911 - 912 |
a | 17.215 ± 0.011 Å |
b | 15.749 ± 0.011 Å |
c | 14.136 ± 0.009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3833 ± 4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 5 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0932 |
Residual factor for significantly intense reflections | 0.0578 |
Weighted residual factors for significantly intense reflections | 0.1563 |
Weighted residual factors for all reflections included in the refinement | 0.1769 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
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/8106343.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.