Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7159413
Preview
Coordinates | 7159413.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H13 Cl N2 O |
---|---|
Calculated formula | C14 H13 Cl N2 O |
Title of publication | Pd-catalyzed oxidative amination of 2-alkenylquinazolin-4(3H)-ones: synthesis of methylene and vinyl derivatives of pyrrolo(pyrido)[2,1-b]quinazolinones |
Authors of publication | Vaskevych, Alla I.; Savinchuk, Nataliia O.; Vaskevych, Ruslan I.; Shishkina, Svitlana V.; Vovk, Mykhailo V. |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2023 |
Journal volume | 21 |
Journal issue | 28 |
Pages of publication | 5866 - 5872 |
a | 6.7519 ± 0.0006 Å |
b | 15.0413 ± 0.0013 Å |
c | 24.732 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2511.7 ± 0.4 Å3 |
Cell temperature | 296.15 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0622 |
Residual factor for significantly intense reflections | 0.0466 |
Weighted residual factors for significantly intense reflections | 0.105 |
Weighted residual factors for all reflections included in the refinement | 0.1169 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
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/7159413.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.