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Information card for entry 7230138
Preview
Coordinates | 7230138.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H19 N3 O4 |
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Calculated formula | C16 H19 N3 O4 |
Title of publication | Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring |
Authors of publication | Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja |
Journal of publication | CrystEngComm |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 13 |
Pages of publication | 1804 |
a | 18.819 ± 0.002 Å |
b | 12.3035 ± 0.0008 Å |
c | 15.245 ± 0.002 Å |
α | 90° |
β | 113.799 ± 0.016° |
γ | 90° |
Cell volume | 3229.7 ± 0.7 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.079 |
Residual factor for significantly intense reflections | 0.0488 |
Weighted residual factors for significantly intense reflections | 0.093 |
Weighted residual factors for all reflections included in the refinement | 0.1034 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
229058 (current) | 2019-11-17 | cif/ Updating files of 7230137, 7230138, 7230139, 7230140, 7230141, 7230142, 7230143, 7230144 Original log message: Adding full bibliography for 7230137--7230144.cif. |
7230138.cif |
206408 | 2018-02-14 | cif/ Adding structures of 7230137, 7230138, 7230139, 7230140, 7230141, 7230142, 7230143, 7230144 via cif-deposit CGI script. |
7230138.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.