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Information card for entry 2229623
Preview
Coordinates | 2229623.cif |
---|---|
Structure factors | 2229623.hkl |
Original IUCr paper | HTML |
Common name | 6,6'-Diethoxy-2,2'-[hexane-1,6-diylbis(nitrilomethanylylidene)]diphenol <i>N</i>,<i>N</i>'-Bis(3-ethoxy-2-hydroxybenzylidene)hexane-1,6-diamine |
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Chemical name | 2-ethoxy-6-{[(6-{[(3-ethoxy-2- hydroxyphenyl)methylidene]amino}hexyl)imino]methyl}phenol |
Formula | C24 H32 N2 O4 |
Calculated formula | C24 H32 N2 O4 |
SMILES | CCOc1cccc(c1O)/C=N/CCCCCC/N=C/c1cccc(c1O)OCC |
Title of publication | 6,6'-Diethoxy-2,2'-[hexane-1,6-diylbis(nitrilomethanylylidene)]diphenol |
Authors of publication | Ha, Kwang |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 4 |
Pages of publication | o918 |
a | 6.9094 ± 0.0013 Å |
b | 6.9184 ± 0.0013 Å |
c | 11.936 ± 0.002 Å |
α | 91.271 ± 0.005° |
β | 99.677 ± 0.004° |
γ | 102.55 ± 0.004° |
Cell volume | 547.98 ± 0.17 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.1118 |
Residual factor for significantly intense reflections | 0.0615 |
Weighted residual factors for significantly intense reflections | 0.1331 |
Weighted residual factors for all reflections included in the refinement | 0.1677 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2229623.html
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Users of the data should acknowledge the original authors of the
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