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Information card for entry 7244613
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Coordinates | 7244613.cif |
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Original paper (by DOI) | HTML |
Formula | C6 H11 Br O5 |
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Calculated formula | C6 H11 Br O5 |
Title of publication | X-ray wavefunction refinement and comprehensive structural studies on bromo-substituted analogues of 2-deoxy-d-glucose in solid state and solution |
Authors of publication | Ziemniak, Marcin; Pawlędzio, Sylwia; Zawadzka-Kaźmierczuk, Anna; Dominiak, Paulina M.; Trzybiński, Damian; Koźmiński, Wiktor; Zieliński, Rafał; Fokt, Izabela; Priebe, Waldemar; Woźniak, Krzysztof; Pająk, Beata |
Journal of publication | RSC Advances |
Year of publication | 2022 |
Journal volume | 12 |
Journal issue | 14 |
Pages of publication | 8345 - 8360 |
a | 8.0544 ± 0.0008 Å |
b | 10.367 ± 0.0007 Å |
c | 10.0444 ± 0.0008 Å |
α | 90° |
β | 90.784 ± 0.008° |
γ | 90° |
Cell volume | 838.63 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0811 |
Residual factor for significantly intense reflections | 0.079 |
Weighted residual factors for significantly intense reflections | 0.2258 |
Weighted residual factors for all reflections included in the refinement | 0.2285 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation probe | x-ray |
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/7244613.html
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Users of the data should acknowledge the original authors of the
structural data.