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Information card for entry 7206389
Preview
Coordinates | 7206389.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H58 N6 O2 |
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Calculated formula | C40 H58 N6 O2 |
SMILES | c1c(cc(OCCCCCCC)c(/C=N/C(=C(C#N)/N=C/c2ccc(cc2OCCCCCCC)N(CC)CC)C#N)c1)N(CC)CC |
Title of publication | Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives |
Authors of publication | Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 17 |
Pages of publication | 5374 |
a | 8.1103 ± 0.0005 Å |
b | 9.1024 ± 0.0006 Å |
c | 14.0291 ± 0.001 Å |
α | 80.067 ± 0.003° |
β | 88.748 ± 0.004° |
γ | 78.422 ± 0.003° |
Cell volume | 999.3 ± 0.12 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296 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 significantly intense reflections | 0.0758 |
Weighted residual factors for all reflections included in the refinement | 0.2376 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.84 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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