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Information card for entry 2208063
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Coordinates | 2208063.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | (E,E)-N^1^,N^6^-Bis[4-(dimethylamino)benzylidene]hexane-1,6-diamine |
---|---|
Formula | C24 H34 N4 |
Calculated formula | C24 H34 N4 |
SMILES | CN(c1ccc(cc1)/C=N/CCCCCC/N=C/c1ccc(cc1)N(C)C)C |
Title of publication | (<i>E</i>,<i>E</i>)-<i>N</i>^1^,<i>N</i>^6^-Bis[4-(dimethylamino)benzylidene]hexane-1,6-diamine |
Authors of publication | Lin, Zhi-Dong; Lin, Zhi-Dong; Liu, Li-Ming; Huang, Ya-Min |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 2 |
Pages of publication | o833 - o835 |
a | 6.1695 ± 0.0015 Å |
b | 6.6209 ± 0.0016 Å |
c | 27.417 ± 0.006 Å |
α | 90° |
β | 93.212 ± 0.005° |
γ | 90° |
Cell volume | 1118.2 ± 0.5 Å3 |
Cell temperature | 292 ± 2 K |
Ambient diffraction temperature | 292 ± 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 | 0.1122 |
Residual factor for significantly intense reflections | 0.0619 |
Weighted residual factors for significantly intense reflections | 0.1484 |
Weighted residual factors for all reflections included in the refinement | 0.167 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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