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Information card for entry 4510778
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Coordinates | 4510778.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H22 Cl2 N2 |
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Calculated formula | C26 H22 Cl2 N2 |
SMILES | [Cl-].[Cl-].[NH3+]c1ccc(c2c3ccccc3c(c3ccccc23)c2ccc([NH3+])cc2)cc1 |
Title of publication | Elucidation of Anthracene Arrangement for Excimer Emission at Ambient Conditions |
Authors of publication | Sugino, Misa; Araki, Yusuke; Hatanaka, Keisuke; Hisaki, Ichiro; Miyata, Mikiji; Tohnai, Norimitsu |
Journal of publication | Crystal Growth & Design |
Year of publication | 2013 |
Journal volume | 13 |
Journal issue | 11 |
Pages of publication | 4986 |
a | 10.8562 ± 0.0002 Å |
b | 8.0322 ± 0.0001 Å |
c | 14.1325 ± 0.0003 Å |
α | 90° |
β | 102.146 ± 0.0008° |
γ | 90° |
Cell volume | 1204.76 ± 0.04 Å3 |
Cell temperature | 153 K |
Ambient diffraction temperature | 153 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 significantly intense reflections | 0.1173 |
Weighted residual factors for all reflections included in the refinement | 0.3859 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.035 |
Diffraction radiation wavelength | 0.8 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179654 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/07. |
4510778.cif |
113160 | 2014-05-08 | cif/ Adding structures of 4510778 via cif-deposit CGI script. |
4510778.cif |
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Users of the data should acknowledge the original authors of the
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