Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7129312
Preview
Coordinates | 7129312.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C96 H92 N4 O16 |
---|---|
Calculated formula | C96 H92 N4 O16 |
Title of publication | Gold/scandium bimetallic relay catalysis of formal [5+2]- and [4+2]-annulations: access to tetracyclic indole scaffolds |
Authors of publication | Xiao, Jun-An; Peng, Hai; Liang, Jin-Shao; Meng, Ru-Fang; Su, Wei; Xiao, Qi; Yang, Hua |
Journal of publication | Chemical Communications |
Year of publication | 2021 |
a | 11.5856 ± 0.0007 Å |
b | 7.9134 ± 0.0005 Å |
c | 21.1647 ± 0.0013 Å |
α | 90° |
β | 96.028 ± 0.002° |
γ | 90° |
Cell volume | 1929.7 ± 0.2 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 | 0.1541 |
Residual factor for significantly intense reflections | 0.0683 |
Weighted residual factors for significantly intense reflections | 0.1359 |
Weighted residual factors for all reflections included in the refinement | 0.1658 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 0.71076 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
270877 (current) | 2021-11-26 | cif/ Adding structures of 7129311, 7129312 via cif-deposit CGI script. |
7129312.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.