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Information card for entry 2243135
Preview
Coordinates | 2243135.cif |
---|---|
Structure factors | 2243135.hkl |
Original paper (by DOI) | HTML |
Chemical name | (<i>E</i>)-2-{3-[4-(Dimethylamino)phenyl]allylidene}-1<i>H</i>-indene-1,3(2<i>H</i>)-dione |
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Formula | C20 H17 N O2 |
Calculated formula | C20 H17 N O2 |
SMILES | O=C1c2ccccc2C(=O)C1=C/C=C/c1ccc(N(C)C)cc1 |
Title of publication | Crystal structures, syntheses, and spectroscopic and electrochemical measurements of two push‒pull chromophores: 2-[4-(dimethylamino)benzylidene]-1<i>H</i>-indene-1,3(2<i>H</i>)-dione and (<i>E</i>)-2-{3-[4-(dimethylamino)phenyl]allylidene}-1<i>H</i>-indene-1,3(2<i>H</i>)-dione |
Authors of publication | Bogdanov, Georgii; Tillotson, John P.; Timofeeva, Tatiana |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2019 |
Journal volume | 75 |
Journal issue | 11 |
Pages of publication | 1595 - 1599 |
a | 11.072 ± 0.002 Å |
b | 3.9664 ± 0.0008 Å |
c | 17.557 ± 0.004 Å |
α | 90° |
β | 104.5 ± 0.002° |
γ | 90° |
Cell volume | 746.5 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0453 |
Residual factor for significantly intense reflections | 0.0438 |
Weighted residual factors for significantly intense reflections | 0.1201 |
Weighted residual factors for all reflections included in the refinement | 0.1214 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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