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Information card for entry 1502287
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Coordinates | 1502287.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | naka241 |
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Formula | C22 H16 O4 S |
Calculated formula | C22 H16 O4 S |
SMILES | S1C(=C(C2=CC3c4c(C12c1ccccc31)cccc4)C(=O)OC)C(=O)OC |
Title of publication | Fluorescent 3-methylene-2,3-dihydrochalcogenophenes incorporated in a rigid dibenzobarrelene skeleton. |
Authors of publication | Ishii, Akihiko; Yamaguchi, Yuki; Nakata, Norio |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 14 |
Pages of publication | 3702 - 3705 |
a | 10.2288 ± 0.0006 Å |
b | 14.8538 ± 0.0008 Å |
c | 11.6838 ± 0.0006 Å |
α | 90° |
β | 93.302 ± 0.001° |
γ | 90° |
Cell volume | 1772.25 ± 0.17 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 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 | 0.0485 |
Residual factor for significantly intense reflections | 0.0432 |
Weighted residual factors for significantly intense reflections | 0.1023 |
Weighted residual factors for all reflections included in the refinement | 0.1056 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1502287.html
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