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Information card for entry 7108252
Preview
Coordinates | 7108252.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H21 N3 S |
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Calculated formula | C34 H21 N3 S |
SMILES | s1nc2cccc(c2n1)C#Cc1ccc(cc1)/C=C/c1ccc(n2c3ccccc3c3ccccc23)cc1 |
Title of publication | Controlling growth of molecular crystal aggregates for efficient optical waveguides |
Authors of publication | Songhua Chen; Nan Chen; Yongli Yan; Taifeng Liu; Yanwen Yu; Yongjun Li; Huibiao Liu; Yong Sheng Zhao; Yuliang Li |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 48 |
Pages of publication | 9011 |
a | 9.0702 ± 0.0018 Å |
b | 39.586 ± 0.008 Å |
c | 7.4369 ± 0.0015 Å |
α | 90° |
β | 106.217 ± 0.003° |
γ | 90° |
Cell volume | 2564 ± 0.9 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0862 |
Residual factor for significantly intense reflections | 0.0746 |
Weighted residual factors for significantly intense reflections | 0.1445 |
Weighted residual factors for all reflections included in the refinement | 0.1501 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.199 |
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/7108252.html
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Users of the data should acknowledge the original authors of the
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