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Information card for entry 7150135
Preview
Coordinates | 7150135.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H35 N3 O3 |
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Calculated formula | C20 H35 N3 O3 |
Title of publication | Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions. |
Authors of publication | Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2005 |
Journal volume | 3 |
Journal issue | 8 |
Pages of publication | 1453 - 1459 |
a | 13.2912 ± 0.0006 Å |
b | 13.0775 ± 0.0005 Å |
c | 12.1094 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2104.8 ± 0.15 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 4 |
Space group number | 36 |
Hermann-Mauguin space group symbol | C m c 21 |
Hall space group symbol | C 2c -2 |
Residual factor for all reflections | 0.0445 |
Residual factor for significantly intense reflections | 0.0387 |
Weighted residual factors for significantly intense reflections | 0.0906 |
Weighted residual factors for all reflections included in the refinement | 0.0928 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71069 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/7150135.html
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Users of the data should acknowledge the original authors of the
structural data.