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Information card for entry 2103743
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Coordinates | 2103743.cif |
---|---|
Original IUCr paper | HTML |
Common name | OON (methoxy cyanurate) |
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Chemical name | 4,6-Dimethoxy-3-methyl-dihydro-triazine-2-one |
Formula | C6 H9 N3 O3 |
Calculated formula | C6 H9 N3 O3 |
Title of publication | Irreversible single-crystal to polycrystal and reversible single-crystal to single-crystal phase transformations in cyanurates |
Authors of publication | Kaftory, Menahem; Botoshansky, Mark; Kapon, Moshe; Shteiman, Vitaly |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 2001 |
Journal volume | 57 |
Journal issue | 6 |
Pages of publication | 791 - 799 |
a | 8.465 ± 0.001 Å |
b | 6.749 ± 0.001 Å |
c | 14.284 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 816.05 ± 0.19 Å3 |
Cell temperature | 320 ± 2 K |
Ambient diffraction temperature | 320 ± 2 K |
Number of distinct elements | 4 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0939 |
Residual factor for significantly intense reflections | 0.0461 |
Weighted residual factors for all reflections included in the refinement | 0.147 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/2103743.html
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