Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7245577
Preview
Coordinates | 7245577.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 7jdiast2 |
---|---|
Formula | C31 H29 Cl3 F N3 O5 |
Calculated formula | C31 H29 Cl3 F N3 O5 |
Title of publication | Base-selective access to highly functionalized heterocycles from multicomponent Ugi adducts |
Authors of publication | González-Saiz, Beatriz; Pertejo, Pablo; Peña-Calleja, Pablo; Mielczarek, Marcin; Hermosilla, Tomás; Carreira-Barral, Israel; de Miguel, Olivia; Rodríguez-Vidal, Francisco; Quesada, Roberto; García-Valverde, María |
Journal of publication | Green Chemistry |
Year of publication | 2022 |
Journal volume | 24 |
Journal issue | 20 |
Pages of publication | 7988 - 7995 |
a | 9.94 ± 0.016 Å |
b | 10.793 ± 0.01 Å |
c | 16.25 ± 0.02 Å |
α | 108.53 ± 0.04° |
β | 96.84 ± 0.07° |
γ | 106.91 ± 0.05° |
Cell volume | 1538 ± 4 Å3 |
Cell temperature | 230 ± 2 K |
Ambient diffraction temperature | 230 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.115 |
Residual factor for significantly intense reflections | 0.0657 |
Weighted residual factors for significantly intense reflections | 0.1647 |
Weighted residual factors for all reflections included in the refinement | 0.216 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7245577.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.