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Information card for entry 2238762
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Coordinates | 2238762.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 1,5-Dimethoxynaphthalene |
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Formula | C12 H12 O2 |
Calculated formula | C12 H12 O2 |
SMILES | COc1cccc2c1cccc2OC |
Title of publication | 1,5-Dimethoxynaphthalene |
Authors of publication | Marfo-Owusu, Emmanuel; Thompson, Amber L. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2013 |
Journal volume | 69 |
Journal issue | 11 |
Pages of publication | o1655 - o1656 |
a | 7.0412 ± 0.0003 Å |
b | 10.1058 ± 0.0004 Å |
c | 6.5773 ± 0.0002 Å |
α | 90° |
β | 95.509 ± 0.003° |
γ | 90° |
Cell volume | 465.86 ± 0.03 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0361 |
Residual factor for significantly intense reflections | 0.0335 |
Weighted residual factors for all reflections | 0.0929 |
Weighted residual factors for significantly intense reflections | 0.0908 |
Weighted residual factors for all reflections included in the refinement | 0.0929 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0007 |
Diffraction radiation wavelength | 1.5418 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/2238762.html
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