Information card for entry 8105718
Formula |
C10 H10 O4 |
Calculated formula |
C10 H10 O4 |
Title of publication |
Crystal structure of 6-hydroxy-2,2-dimethyl-4Hbenzo[d][1,3]dioxin-4-one, C10H10O4 |
Authors of publication |
Tang, Wenqiang; Xu, Xiaona; Gao, Yanrong; Tong, Hongjuan; Zhu, Zhoujing; Liu, Bin |
Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication |
2022 |
Journal volume |
237 |
Journal issue |
3 |
Pages of publication |
441 - 443 |
a |
9.464 ± 0.006 Å |
b |
10.302 ± 0.007 Å |
c |
10.589 ± 0.007 Å |
α |
90° |
β |
114.174 ± 0.011° |
γ |
90° |
Cell volume |
941.9 ± 1.1 Å3 |
Cell temperature |
173 K |
Ambient diffraction temperature |
173 K |
Number of distinct elements |
3 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.0541 |
Residual factor for significantly intense reflections |
0.0453 |
Weighted residual factors for significantly intense reflections |
0.1334 |
Weighted residual factors for all reflections included in the refinement |
0.1394 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.027 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/8105718.html