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Information card for entry 1560138
Preview
Coordinates | 1560138.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H14 N2 O4 |
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Calculated formula | C16 H14 N2 O4 |
SMILES | c1(c2c(OCOC)cccc2O)[nH]c2c(cccc2C=O)n1 |
Title of publication | Biomimetic hydrogen-bonding cascade for chemical activation: telling a nucleophile from a base. |
Authors of publication | Park, Hyunchang; Lee, Dongwhan |
Journal of publication | Chemical science |
Year of publication | 2020 |
Journal volume | 12 |
Journal issue | 2 |
Pages of publication | 590 - 598 |
a | 17.4514 ± 0.0004 Å |
b | 4.6477 ± 0.0001 Å |
c | 35.608 ± 0.0008 Å |
α | 90° |
β | 102.334 ± 0.002° |
γ | 90° |
Cell volume | 2821.46 ± 0.11 Å3 |
Cell temperature | 93 K |
Ambient diffraction temperature | 93 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.0922 |
Residual factor for significantly intense reflections | 0.083 |
Weighted residual factors for significantly intense reflections | 0.2263 |
Weighted residual factors for all reflections included in the refinement | 0.2396 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 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/1560138.html
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