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Information card for entry 7241428
Preview
Coordinates | 7241428.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H13 N3 O3 |
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Calculated formula | C14 H13 N3 O3 |
SMILES | O=C(N/N=C/c1c(O)c(O)ccc1)c1c(N)cccc1 |
Title of publication | Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach |
Authors of publication | Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja |
Journal of publication | RSC Advances |
Year of publication | 2020 |
Journal volume | 10 |
Journal issue | 63 |
Pages of publication | 38566 - 38577 |
a | 24.7572 ± 0.0013 Å |
b | 7.6282 ± 0.0005 Å |
c | 13.3499 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2521.2 ± 0.2 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 4 |
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 | 0.0986 |
Residual factor for significantly intense reflections | 0.0511 |
Weighted residual factors for significantly intense reflections | 0.0894 |
Weighted residual factors for all reflections included in the refinement | 0.1052 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.899 |
Diffraction radiation probe | x-ray |
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/7241428.html
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Users of the data should acknowledge the original authors of the
structural data.