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Information card for entry 4120438
Preview
Coordinates | 4120438.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | hof-2-s-pea |
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Formula | C44 H44 N20 O3 |
Calculated formula | C44 H44 N20 O3 |
SMILES | n1c(nc(nc1N)N)c1cc(OCC)c(c2c1cc(cc2)c1nc(nc(n1)N)N)c1c(OCC)cc(c2cc(ccc12)c1nc(nc(n1)N)N)c1nc(nc(n1)N)N.O[C@H](c1ccccc1)C |
Title of publication | A homochiral microporous hydrogen-bonded organic framework for highly enantioselective separation of secondary alcohols. |
Authors of publication | Li, Peng; He, Yabing; Guang, Jie; Weng, Linghong; Zhao, John Cong-Gui; Xiang, Shengchang; Chen, Banglin |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 2 |
Pages of publication | 547 - 549 |
a | 11.8925 ± 0.0008 Å |
b | 11.8925 ± 0.0008 Å |
c | 71.857 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 8801.3 ± 1 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 170 |
Hermann-Mauguin space group symbol | P 65 |
Hall space group symbol | P 65 |
Residual factor for all reflections | 0.1032 |
Residual factor for significantly intense reflections | 0.0855 |
Weighted residual factors for significantly intense reflections | 0.2677 |
Weighted residual factors for all reflections included in the refinement | 0.2108 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4120438.html
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Users of the data should acknowledge the original authors of the
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