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Information card for entry 7219973
Preview
Coordinates | 7219973.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 4-methoxy-1-naphtaldehyde |
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Formula | C12 H10 O2.4 |
Calculated formula | C12 H10 O2.4 |
Title of publication | 4-Hydroxy-1-naphthaldehydes: proton transfer or deprotonation. |
Authors of publication | Manolova, Y.; Kurteva, V.; Antonov, L.; Marciniak, H.; Lochbrunner, S.; Crochet, A.; Fromm, K. M.; Kamounah, F. S.; Hansen, P. E. |
Journal of publication | Physical chemistry chemical physics : PCCP |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 15 |
Pages of publication | 10238 - 10249 |
a | 15.074 ± 0.002 Å |
b | 3.9014 ± 0.0004 Å |
c | 17.001 ± 0.003 Å |
α | 90° |
β | 110.532 ± 0.011° |
γ | 90° |
Cell volume | 936.3 ± 0.2 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1244 |
Residual factor for significantly intense reflections | 0.059 |
Weighted residual factors for significantly intense reflections | 0.1317 |
Weighted residual factors for all reflections included in the refinement | 0.1567 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7219973.html
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