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Information card for entry 8102847
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Coordinates | 8102847.cif |
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Chemical name | benzene-1,4-dioxydiacetic acid |
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Formula | C10 H10 O6 |
Calculated formula | C10 H10 O6 |
Title of publication | Crystal structure of benzene-1,4-dioxydiacetic acid, C10H10O6 |
Authors of publication | Rui-Hong Deng; Dong-Hua Chen; Bo-Wen Lai; Hui-Liang Wen |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2010 |
Journal volume | 225 |
Journal issue | 4 |
Pages of publication | 719 |
a | 6.425 ± 0.003 Å |
b | 6.913 ± 0.005 Å |
c | 6.967 ± 0.003 Å |
α | 105.231 ± 0.007° |
β | 116.289 ± 0.004° |
γ | 104.618 ± 0.006° |
Cell volume | 242.2 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0547 |
Residual factor for significantly intense reflections | 0.0419 |
Weighted residual factors for significantly intense reflections | 0.117 |
Weighted residual factors for all reflections included in the refinement | 0.1313 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
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/8102847.html
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