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Information card for entry 2013770
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Coordinates | 2013770.cif |
---|---|
Original IUCr paper | HTML |
Common name | MeSalpr |
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Chemical name | N,N-bis(2-methoxybenzylidene)propane-1,3-diamine |
Formula | C19 H22 N2 O2 |
Calculated formula | C19 H22 N2 O2 |
SMILES | COc1ccccc1/C=N/CCC/N=C/c1ccccc1OC |
Title of publication | <i>N</i>,<i>N</i>'-Bis(2-methoxybenzylidene) adducts of ethane-1,2-diamine, propane-1,3-diamine and butane-1,4-diamine |
Authors of publication | Reglinski, John; Taylor, Michelle K; Kennedy, Alan R |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 3 |
Pages of publication | o169 - o172 |
a | 8.8669 ± 0.0002 Å |
b | 9.9139 ± 0.0003 Å |
c | 10.2724 ± 0.0004 Å |
α | 101.14 ± 0.002° |
β | 92.341 ± 0.002° |
γ | 109.442 ± 0.002° |
Cell volume | 830.05 ± 0.05 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0963 |
Residual factor for significantly intense reflections | 0.0468 |
Weighted residual factors for significantly intense reflections | 0.1042 |
Weighted residual factors for all reflections included in the refinement | 0.1216 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
Diffraction radiation wavelength | 0.71073 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/2013770.html
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