Information card for entry 4519333
Formula |
C7 H10 O4 |
Calculated formula |
C7 H10 O4 |
Title of publication |
Cascade Transformation of Carbon Dioxide and Alkyne-1,n-diols into Densely Substituted Cyclic Carbonates |
Authors of publication |
Li, Xuetong; Villar-Yanez, Alba; Ngassam Tounzoua, Charlene; Benet-Buchholz, Jordi; Grignard, Bruno; Bo, Carles; Detrembleur, Christophe; Kleij, Arjan W. |
Journal of publication |
ACS Catalysis |
Year of publication |
2022 |
Pages of publication |
2854 - 2860 |
a |
6.8234 ± 0.0012 Å |
b |
9.9156 ± 0.0018 Å |
c |
10.9182 ± 0.0018 Å |
α |
90° |
β |
93.902 ± 0.004° |
γ |
90° |
Cell volume |
737 ± 0.2 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 2 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 |
0.0579 |
Residual factor for significantly intense reflections |
0.0468 |
Weighted residual factors for significantly intense reflections |
0.1242 |
Weighted residual factors for all reflections included in the refinement |
0.1332 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.053 |
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/4519333.html