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Information card for entry 7151729
Preview
Coordinates | 7151729.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H18 N4 |
---|---|
Calculated formula | C32 H18 N4 |
SMILES | C(#N)c1c(C#N)c(c2c(c1)cc1c(cc(C#N)c(C#N)c1c1ccc(C)cc1)c2)c1ccc(C)cc1 |
Title of publication | Synthesis of electron deficient acene derivatives via a bidirectional iterative elongation reaction |
Authors of publication | Lin, Yi-Chun; Lin, Chih-Hsiu; Chen, Chan-Yu; Sun, Shih-Sheng; Pal, Bikash |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2011 |
Journal volume | 9 |
Journal issue | 12 |
Pages of publication | 4507 |
a | 7.5239 ± 0.0004 Å |
b | 13.8384 ± 0.0008 Å |
c | 22.5279 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2345.6 ± 0.2 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 3 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1515 |
Residual factor for significantly intense reflections | 0.049 |
Weighted residual factors for significantly intense reflections | 0.1062 |
Weighted residual factors for all reflections included in the refinement | 0.1486 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.91 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180303 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/17. |
7151729.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151729.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151729.cif |
21244 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151729 via cif-deposit CGI script. |
7151729.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.