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Information card for entry 7246020
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Coordinates | 7246020.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H21 N5 O4 |
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Calculated formula | C19 H21 N5 O4 |
Title of publication | Ethanol- and heat-mediated phase change from a kinetic (Z′ = 4) polymorph to a thermodynamic (Z′ = 1) polymorph for an N2,6-diaryl-1,3,5-triazine-2,4-diamine |
Authors of publication | Tan, Sang Loon; Tan, Yee Seng; Bin Shahari, Muhammad Syafiq; Junaid, Ahmad; Dolzhenko, Anton V.; Tiekink, Edward R. T. |
Journal of publication | CrystEngComm |
Year of publication | 2023 |
Journal volume | 25 |
Journal issue | 5 |
Pages of publication | 798 - 812 |
a | 18.40122 ± 0.00019 Å |
b | 17.9816 ± 0.0002 Å |
c | 22.503 ± 0.0003 Å |
α | 90° |
β | 103.67 ± 0.0011° |
γ | 90° |
Cell volume | 7234.95 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0461 |
Residual factor for significantly intense reflections | 0.0384 |
Weighted residual factors for significantly intense reflections | 0.0995 |
Weighted residual factors for all reflections included in the refinement | 0.1053 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/7246020.html
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