Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7060852
Preview
Coordinates | 7060852.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C49 H37 Cl N2 O4 |
---|---|
Calculated formula | C49 H37 Cl N2 O4 |
Title of publication | DDQ dehydrogenative Diels‒Alder reaction for the synthesis of functionalized spiro[carbazole-1,3′-indolines] and spiro[carbazole-1,5′-pyrimidines] |
Authors of publication | Zhan, Shao-Cong; Fang, Ren-Jie; Yang, Ren-Yin; Zhao, Ru-Fang; Wang, Yang; Sun, Jing; Yan, Chao-Guo |
Journal of publication | New Journal of Chemistry |
Year of publication | 2021 |
Journal volume | 45 |
Journal issue | 34 |
Pages of publication | 15423 - 15428 |
a | 12.3059 ± 0.0011 Å |
b | 12.9944 ± 0.001 Å |
c | 13.5855 ± 0.0011 Å |
α | 99.021 ± 0.002° |
β | 99.217 ± 0.003° |
γ | 110.717 ± 0.003° |
Cell volume | 1951.4 ± 0.3 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1978 |
Residual factor for significantly intense reflections | 0.0749 |
Weighted residual factors for significantly intense reflections | 0.1648 |
Weighted residual factors for all reflections included in the refinement | 0.2031 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
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/7060852.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.