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Information card for entry 2242301
Preview
Coordinates | 2242301.cif |
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Structure factors | 2242301.hkl |
Original paper (by DOI) | HTML |
Chemical name | Bis[<i>N</i>-(7-dibromomethyl-1,8-naphthyridin-2-yl)acetamide] dioxane hemisolvate |
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Formula | C24 H22 Br4 N6 O3 |
Calculated formula | C24 H22 Br4 N6 O3 |
Title of publication | Crystal structures of the dioxane hemisolvates of <i>N</i>-(7-bromomethyl-1,8-naphthyridin-2-yl)acetamide and bis[<i>N</i>-(7-dibromomethyl-1,8-naphthyridin-2-yl)acetamide] |
Authors of publication | Rosin, Robert; Seichter, Wilhelm; Mazik, Monika |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2017 |
Journal volume | 73 |
Journal issue | 10 |
Pages of publication | 1409 - 1413 |
a | 9.4065 ± 0.0005 Å |
b | 9.5271 ± 0.0005 Å |
c | 16.6464 ± 0.001 Å |
α | 88.777 ± 0.003° |
β | 81.057 ± 0.002° |
γ | 64.928 ± 0.002° |
Cell volume | 1333.15 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.032 |
Residual factor for significantly intense reflections | 0.0294 |
Weighted residual factors for significantly intense reflections | 0.0728 |
Weighted residual factors for all reflections included in the refinement | 0.074 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
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200203 (current) | 2017-09-06 | cif/ hkl/ Adding structures of 2242300, 2242301 via cif-deposit CGI script. |
2242301.cif 2242301.hkl |
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Users of the data should acknowledge the original authors of the
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