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Information card for entry 2004104
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Coordinates | 2004104.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 2-Bromo-3-deoxy-D-erythro-hex-2-enono-1,5-lactone and 2-Chloro-3-deoxy-D-erythro-hex-2-enono-1,5-lactone |
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Formula | C6 H7 Br0.34 Cl0.66 O3 |
Calculated formula | C6 H7 Br0.339 Cl0.661 O3 |
Title of publication | A 2:1 Solid Solution of 6-Chloro-2,3,6-trideoxy-<small>D</small>-<i>erythro</i>-hex-2-enono-1,5-lactone and its 6-Bromo Analogue |
Authors of publication | Fun, H.-K.; Sivakumar, K.; Ang, H.-B.; Sam, T.-W.; Gan, E.-K. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1995 |
Journal volume | 51 |
Journal issue | 11 |
Pages of publication | 2450 - 2453 |
a | 4.5232 ± 0.0008 Å |
b | 10.5764 ± 0.001 Å |
c | 14.8003 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 708.03 ± 0.16 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0508 |
Residual factor for significantly intense reflections | 0.0347 |
Weighted residual factors for all reflections | 0.0864 |
Weighted residual factors for significantly intense reflections | 0.0821 |
Goodness-of-fit parameter for all reflections | 0.938 |
Goodness-of-fit parameter for significantly intense reflections | 1.046 |
Diffraction radiation wavelength | 0.71073 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/2004104.html
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