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Information card for entry 2234274
Preview
Coordinates | 2234274.cif |
---|---|
Structure factors | 2234274.hkl |
Original IUCr paper | HTML |
Common name | (<i>R</i>)-1,1'-Binaphthalene-2,2'-diol‒ (<i>Z</i>)-<i>N</i>-ethylethanimine <i>N</i>-oxide (1/1) |
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Chemical name | (<i>R</i>)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol‒ (<i>Z</i>)-<i>N</i>-ethylethanimine <i>N</i>-oxide (1/1) |
Formula | C24 H23 N O3 |
Calculated formula | C24 H23 N O3 |
SMILES | Oc1c(c2c(cc1)cccc2)c1c(O)ccc2ccccc12.O=N(=CC)CC |
Title of publication | (<i>R</i>)-1,1'-Binaphthalene-2,2'-diol‒(<i>Z</i>)-<i>N</i>-ethylideneethanamine <i>N</i>-oxide (1/1) |
Authors of publication | Shao, Bo; Wang, Hai-Bin |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 4 |
Pages of publication | o948 |
a | 8.9579 ± 0.0006 Å |
b | 8.9579 ± 0.0006 Å |
c | 21.187 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 1472.4 ± 0.3 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 4 |
Space group number | 144 |
Hermann-Mauguin space group symbol | P 31 |
Hall space group symbol | P 31 |
Residual factor for all reflections | 0.0559 |
Residual factor for significantly intense reflections | 0.0529 |
Weighted residual factors for significantly intense reflections | 0.1136 |
Weighted residual factors for all reflections included in the refinement | 0.1152 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.189 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2234274.html
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