Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7158013
Preview
Coordinates | 7158013.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H20 Cl2 N2 |
---|---|
Calculated formula | C21 H20 Cl2 N2 |
Title of publication | Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor. |
Authors of publication | Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2021 |
Journal volume | 19 |
Journal issue | 18 |
Pages of publication | 4076 - 4081 |
a | 8.8647 ± 0.0005 Å |
b | 10.0294 ± 0.0006 Å |
c | 11.7597 ± 0.0005 Å |
α | 110.64 ± 0.005° |
β | 90.771 ± 0.004° |
γ | 112.601 ± 0.005° |
Cell volume | 889.76 ± 0.1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0567 |
Residual factor for significantly intense reflections | 0.0486 |
Weighted residual factors for significantly intense reflections | 0.1441 |
Weighted residual factors for all reflections included in the refinement | 0.1501 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
266172 (current) | 2021-06-05 | cif/ Updating files of 7158011, 7158012, 7158013, 7158014, 7158015 Original log message: Adding full bibliography for 7158011--7158015.cif. |
7158013.cif |
263963 | 2021-04-08 | cif/ Adding structures of 7158011, 7158012, 7158013, 7158014, 7158015 via cif-deposit CGI script. |
7158013.cif |
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.