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Information card for entry 4517131
Preview
Coordinates | 4517131.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H24 O3 |
---|---|
Calculated formula | C21 H24 O3 |
SMILES | O1[C@@]2(C[C@@H](O[C@]1(C[C@@H]2O)CCc1ccccc1)c1ccccc1)C.O1[C@]2(C[C@H](O[C@@]1(C[C@H]2O)CCc1ccccc1)c1ccccc1)C |
Title of publication | Modular Synthesis of 2,8-Dioxabicyclo[3.2.1]octanes by Sequential Catalysis |
Authors of publication | Chen, Bin; Zhang, Yunxing; Wu, Rui; Fang, Dongmei; Chen, Xiaozhen; Wang, Simin; Zhao, Yuqiong; Hu, Ping; Zhao, Ke-Qing; Wang, Bi-Qin; Cao, Peng |
Journal of publication | ACS Catalysis |
Year of publication | 2019 |
Pages of publication | 11788 |
a | 5.8229 ± 0.0005 Å |
b | 19.461 ± 0.002 Å |
c | 15.4449 ± 0.0018 Å |
α | 90° |
β | 91.423 ± 0.008° |
γ | 90° |
Cell volume | 1749.7 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293.15 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1191 |
Residual factor for significantly intense reflections | 0.0536 |
Weighted residual factors for significantly intense reflections | 0.0933 |
Weighted residual factors for all reflections included in the refinement | 0.1191 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4517131.html
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Users of the data should acknowledge the original authors of the
structural data.