Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1542623
Preview
Coordinates | 1542623.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H34 F N3 O7 |
---|---|
Calculated formula | C33 H34 F N3 O7 |
SMILES | Fc1ccc(cc1)c1nc(OCC)oc1C1C(=O)N(c2c1c(NC(=O)OCC)ccc2)Cc1ccccc1.O(C(=O)C)CC |
Title of publication | Annulation Reaction of 3-Acylmethylidene Oxindoles with Huisgen Zwitterions and Its Applications in the Syntheses of Pyrrolo[4,3,2-de]quinolinones and Marine Alkaloids Ammosamides. |
Authors of publication | Yang, Changjiang; Chen, Xiangyu; Tang, Tong; He, Zhengjie |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 6 |
Pages of publication | 1486 - 1489 |
a | 8.201 ± 0.004 Å |
b | 11.187 ± 0.005 Å |
c | 17.705 ± 0.007 Å |
α | 91.352 ± 0.004° |
β | 103.004 ± 0.007° |
γ | 105.472 ± 0.006° |
Cell volume | 1519.3 ± 1.2 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 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 | 0.0791 |
Residual factor for significantly intense reflections | 0.048 |
Weighted residual factors for significantly intense reflections | 0.0978 |
Weighted residual factors for all reflections included in the refinement | 0.1068 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1542623.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.