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Information card for entry 4033642
Preview
Coordinates | 4033642.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H25 N3 O4 |
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Calculated formula | C34 H25 N3 O4 |
SMILES | O(c1ccc(C(=O)/C=C2\N/C(=N\C3=N\C(c4c3cccc4)=C/C(=O)c3ccc(OC)cc3)c3c2cccc3)cc1)C |
Title of publication | Development of a Class of Easily Scalable, Electron-Deficient, Core-Extended Benzo-Fused Azadipyrromethene Derivatives ("MB-DIPY"). |
Authors of publication | Zatsikha, Yuriy V.; Shamova, Liliya I.; Blesener, Tanner S.; Kuzmin, Ilya A.; Germanov, Yaroslaw V.; Herbert, David E.; Nemykin, Victor N. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
a | 12.4342 ± 0.0006 Å |
b | 7.2489 ± 0.0004 Å |
c | 29.2916 ± 0.0014 Å |
α | 90° |
β | 97.197 ± 0.003° |
γ | 90° |
Cell volume | 2619.4 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1584 |
Residual factor for significantly intense reflections | 0.0679 |
Weighted residual factors for significantly intense reflections | 0.1181 |
Weighted residual factors for all reflections included in the refinement | 0.1452 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
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/4033642.html
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