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Information card for entry 4519056
Preview
Coordinates | 4519056.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H64 Cl3 N3 O9 |
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Calculated formula | C64 H64 Cl3 N3 O9 |
Title of publication | Diastereo- and Enantioselective Synthesis of Eight-Membered Heterocycles via an Allylation/Ring Expansion Sequence Enabled by Multiple Catalysis |
Authors of publication | Yang, Wu-Lin; Wang, Yuan-Lin; Li, Wen; Gu, Bu-Ming; Wang, Si-Wen; Luo, Xiaoyan; Tian, Bo-Xue; Deng, Wei-Ping |
Journal of publication | ACS Catalysis |
Year of publication | 2021 |
Pages of publication | 12557 - 12564 |
a | 8.852 ± 0.0008 Å |
b | 12.885 ± 0.0011 Å |
c | 13.9065 ± 0.0012 Å |
α | 77.061 ± 0.003° |
β | 87.047 ± 0.003° |
γ | 72.519 ± 0.003° |
Cell volume | 1474.3 ± 0.2 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 5 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0489 |
Residual factor for significantly intense reflections | 0.0478 |
Weighted residual factors for significantly intense reflections | 0.1286 |
Weighted residual factors for all reflections included in the refinement | 0.1301 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4519056.html
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structural data.